BMRBj - BMREntryMaster

Found 1 Document (1.87 seconds)

BMRB: 7054

2GM2

NMR chemical shift assignments and structure determination of Xanthomonas campestris XCC1710: Northeast Structural Genomics Consortium Target XcR35

Authors

Cort, J.R., Montelione, G.T., Ramelot, T.A., Kennedy, M.A.

Assembly

XCC1710

Entity

1. XCC1710 (polymer, Thiol state: all free), 132 monomers, 14450.33 Da Detail

MPLNQEHPDY TYALRAADGR HAKVNEQILQ QSFILMPDEL VEHWPVPSLG QLQPAHMDAV LALNPAVILL GTGERQQFPS TDVLAACLTR GIGLEAMTNA AAARTYNVLA SEGRRVALAM IVGGLEHHHH HH

Formula weight

14450.33 Da

Source organism

Xanthomonas campestris

Exptl. method

NMR

Refine. method

THE INITIAL STRUCTURE WAS DETERMINED USING AUTOMATED STRUCTURE DETERMINATION (AUTOSTRUCTURE) AND REFINED MANUALLY. A FINAL REFINEMENT USED SIMULTATED ANNEALING IN EXPLICIT SOLVENT.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.4 %, Completeness: 79.0 %, Completeness (bb): 84.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.0 % (1172 of 1483)	77.2 % (588 of 762)	81.1 % (473 of 583)	80.4 % (111 of 138)
Backbone	84.9 % (659 of 776)	85.3 % (226 of 265)	84.2 % (326 of 387)	86.3 % (107 of 124)
Sidechain	74.3 % (617 of 830)	72.6 % (361 of 497)	79.0 % (252 of 319)	28.6 % (4 of 14)
Aromatic	41.7 % (40 of 96)	45.8 % (22 of 48)	36.2 % (17 of 47)	100.0 % (1 of 1)
Methyl	94.2 % (162 of 172)	93.0 % (80 of 86)	95.3 % (82 of 86)

1. XCC1710

MPLNQEHPDY TYALRAADGR HAKVNEQILQ QSFILMPDEL VEHWPVPSLG QLQPAHMDAV LALNPAVILL GTGERQQFPS TDVLAACLTR GIGLEAMTNA AAARTYNVLA SEGRRVALAM IVGGLEHHHH HH

Show sample condition

Sample

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

LACS Plot; CA

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

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.47 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2GM2, Strand ID: A Detail

Release date

2006-04-23

Citation

NMR chemical shift assignments of Xanthomonas campestris XCC1710
Cort, J.R., Montelione, G.T., Ramelot, T.A., Kennedy, M.A.

Related entities 1. XCC1710, : 1 : 11 entities Detail

Experiments performed 9 experiments Detail

1 1H15N HSQC

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

2 1H13C HSQC

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

3 HNCACB

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

4 CBCACONH

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

5 HCCH-TOCSY

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

6 HCCH-COSY

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

7 HC-TOCSY-NH

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

8 CC-TOCSY-NH

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

9 HNHA

Instrument

#1 Model Varian Inova (600 MHz)

#2 Model Varian Unity Plus (500 MHz)

#3 Model Varian Inova (750 MHz)

Sample #1

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
2	NaCl		salt	100 (±5.0) mM
3	CaCl2		salt	20 (±2.0) mM
4	DTT		reducing agent	10 (±1.0) mM
5	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
6	D2O		solvent	5 (±0.02) % v/v

Sample #2

Pressure 1000 (±50) mbar, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
7	XCC1710	[U-13C; U-15N]	protein	0.5 (±0.1) mM
8	NaCl		salt	100 (±5.0) mM
9	CaCl2		salt	20 (±2.0) mM
10	DTT		reducing agent	10 (±1.0) mM
11	NaN3		antimicrobial agent	0.02 (±0.002) % w/v
12	D2O		solvent	100 (±0.02) % v/v

nullKeywords NMR structure, structural genomics

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Found 1 Document (1.87 seconds)

BMRB: 7054

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. XCC1710, : 1 : 11 entities Detail

Experiments performed 9 experiments Detail

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