3ZFB

Crystal structure of the I75A mutant of human class alpha glutathione transferase in the apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER X8 PROTEUM
Temperature [K]	106
Collection date	2012-11-23
Detector	BRUKER
Spacegroup name	C 1 2 1
Unit cell lengths	99.869, 91.681, 51.249
Unit cell angles	90.00, 93.05, 90.00

Refinement procedure

Resolution	51.180 - 1.860
R-factor	0.22753
Rwork	0.224
R-free	0.28523
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k3l
RMSD bond length	0.016
RMSD bond angle	1.802
Data reduction software	SAINT
Data scaling software	SAINT
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.500	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.060	0.390
Number of reflections	107258
<I/σ(I)>	1454	2.59
Completeness [%]	99.4	95.9
Redundancy	15.91	6.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M TRIS, 17% PEG 4000, 2 MM DTT, 0.02% AZIDE, PH 7.5, VAPOUR DIFFUSION, HANGING DROP, TEMPERATURE 293K