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Letter to the Editor: 1H, 13C, and 15N assignment of the flavodoxin-like domain of the Escherichia coli sulfite reductase

Authors

Sibille, N., Coves, J., Marion, D., Brutscher, B., Bersch, B.

Assembly

flavodoxin-like domain of the Escherichia coli sulfite reductase

Entity

1. Sulfite reductase flavodoxin-like domain (polymer, Thiol state: all free), 167 monomers, 17870.01 Da Detail

ATPAPAAEMP GITIISASQT GNARRVAEAL RDDLLAAKLN VKLVNAGDYK FKQIASEKLL IVVTSTQGEG EPPEEAVALH KFLFSKKAPK LENTAFAVFS LGDTSYEFFC QSGKDFDSKL AELGGERLLD RVDADVEYQA AASEWRARVV DALKSRAPVA APSQSVA

2. FMN (non-polymer), 456.344 Da

Total weight

18326.354 Da

Max. entity weight

17870.01 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 91.2 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (1706 of 1870)	91.2 % (879 of 964)	89.5 % (659 of 736)	98.8 % (168 of 170)
Backbone	98.1 % (967 of 986)	98.2 % (329 of 335)	97.6 % (480 of 492)	99.4 % (158 of 159)
Sidechain	85.7 % (893 of 1042)	87.4 % (550 of 629)	82.8 % (333 of 402)	90.9 % (10 of 11)
Aromatic	1.7 % (2 of 120)	3.3 % (2 of 60)	0.0 % (0 of 59)	0.0 % (0 of 1)
Methyl	96.6 % (199 of 206)	97.1 % (100 of 103)	96.1 % (99 of 103)

1. Sulfite reductase flavodoxin-like domain

ATPAPAAEMP GITIISASQT GNARRVAEAL RDDLLAAKLN VKLVNAGDYK FKQIASEKLL IVVTSTQGEG EPPEEAVALH KFLFSKKAPK LENTAFAVFS LGDTSYEFFC QSGKDFDSKL AELGGERLLD RVDADVEYQA AASEWRARVV DALKSRAPVA APSQSVA

Show sample condition

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.25 ppm, Outliers: 1 Detail

Release date

2001-10-07

Citation

1H, 13C and 15N assignment of the flavodoxin-like domain of the Escherichia coli sulfite reductase
Sibille, N., Coves, J., Marion, D., Brutscher, B., Bersch, B.
J. Biomol. NMR (2001), 21, 71-72, PubMed 11693572 , DOI: , Abstract

Related entities 1. Sulfite reductase flavodoxin-like domain, : 1 : 7 : 135 entities Detail

Interaction partners 1. Sulfite reductase flavodoxin-like domain, : 6 interactors Detail

More details for 6 interactors identified by 4 citations

Experiments performed 12 experiments Detail

1 1H-15N HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

2 HNCO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

3 MQ-HNCOCA

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

4 MQ-COHNCA

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

5 HN(CA)CO

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

6 HN(CA)CB

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

7 HN(COCA)CB

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

8 15N NOESY-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

9 15N TOCSY-HSQC

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

10 (H)C(CO)NH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

11 H(CCO)NH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

12 (H)CCH-TOCSY

Instrument

#1 Model Varian INOVA (600 MHz)

#2 Model Varian INOVA (800 MHz)

Sample #1

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C; U-77% 2H]	1.4 mM
2	FLAVIN MONONUCLEOTIDE		1.54 mM
3	potassium phosphate		100 mM
4	H2O		90 %
5	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
6	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
7	FLAVIN MONONUCLEOTIDE		1.98 mM
8	potassium phosphate		100 mM
9	H2O		90 %
10	D2O		10 %

Sample #3

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
11	Sulfite reductase flavodoxin-like domain	[U-98% 15N; U-98% 13C]	1.8 mM
12	FLAVIN MONONUCLEOTIDE		1.98 mM
13	potassium phosphate		100 mM
14	D2O		100 %

Sample #4

Temperature 303 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
15	Sulfite reductase flavodoxin-like domain	[U-98% 13C]	1.3 mM
16	FLAVIN MONONUCLEOTIDE		1.43 mM
17	potassium phosphate		100 mM
18	H2O		90 %
19	D2O		10 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4985_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr4985_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1897		98.2 (chain: 1, length: 167)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 167, Sequence coverage: 98.2%
- Total number of assignments
  - ¹³C chemical shifts: 663
  - ¹H chemical shifts: 1068
  - ¹⁵N chemical shifts: 166
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords sulfite reductase, flavoprotein, electron transfer, NMR resonance assignment

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	736	663	90.1
¹H chemical shifts	964	870	90.2
¹⁵N chemical shifts	178	166	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	334	328	98.2
¹H chemical shifts	335	327	97.6
¹⁵N chemical shifts	159	156	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	402	335	83.3
¹H chemical shifts	629	543	86.3
¹⁵N chemical shifts	19	10	52.6

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Found 1 Document (1.396 seconds)

BMRB: 4985

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Sulfite reductase flavodoxin-like domain, : 1 : 7 : 135 entities Detail

Interaction partners 1. Sulfite reductase flavodoxin-like domain, : 6 interactors Detail

Experiments performed 12 experiments Detail

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