2OAC

Mouse C14A Glutathione-S-Transferase Mutant in Complex with S-(p-nitrobenzyl) Glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-04-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.360, 77.140, 101.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.228
Rwork	0.220
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bay
RMSD bond length	0.007
RMSD bond angle	1.207
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.205
Number of reflections	19354
<I/σ(I)>	21.8
Completeness [%]	84.5	87.5
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1