1V4G

Crystal Structure of gamma-Glutamylcysteine Synthetase from Escherichia coli B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-21
Detector	MARRESEARCH
Wavelength(s)	0.9726
Spacegroup name	H 3
Unit cell lengths	326.818, 326.818, 104.726
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.2073
Rwork	0.206
R-free	0.23601
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.764
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.095	0.346
Number of reflections	144157
<I/σ(I)>	9	3.4
Completeness [%]	100.0	100
Redundancy	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K