1VA6

Crystal structure of Gamma-glutamylcysteine synthetase from Escherichia Coli B complexed with Transition-state analogue

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	2003-02-02
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	70.468, 97.360, 102.185
Unit cell angles	90.00, 109.63, 90.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.2
Rwork	0.200
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v4g
RMSD bond length	0.018
RMSD bond angle	1.344
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.379
Number of reflections	73622
<I/σ(I)>	14.8	3.5
Completeness [%]	97.2	96.3
Redundancy	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 2000MME, MgCl2, Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K