2OAD

Structure of Glutathione-S-Transferase C169A Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-05-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.631, 77.031, 101.609
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.500 - 2.500
R-factor	0.22
Rwork	0.216
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bay
RMSD bond length	0.006
RMSD bond angle	1.127
Data reduction software	HKL-2000
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.063	0.151
Number of reflections	26406
<I/σ(I)>	14.93	7.1
Completeness [%]	98.2	94.4
Redundancy	1.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1