3UAR

Crystal structure of glutathione transferase (TARGET EFI-501774) from methylococcus capsulatus str. bath with gsh bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-07
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 3 2
Unit cell lengths	128.932, 128.932, 128.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.980 - 2.600
R-factor	0.20498
Rwork	0.204
R-free	0.23718
Structure solution method	MR
Starting model (for MR)	3uap
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge		0.950
Number of reflections	13203
<I/σ(I)>	8.5	0.8
Completeness [%]	99.9	100
Redundancy	11.5	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.2M SODIUM CHLORIDE, 0.1M TRIS-HCL, 30% PEG3000, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K