5DCG

Crystal Structure of WT Apo Human Glutathione Transferase Pi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-06-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	77.499, 90.250, 68.920
Unit cell angles	90.00, 98.49, 90.00

Refinement procedure

Resolution	38.325 - 2.010
R-factor	0.1497
Rwork	0.148
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gss
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.160	68.160	2.060
High resolution limit [Å]	2.010	8.980	2.010
Rmerge	0.116	0.076	0.224
Rpim	0.059	0.041	0.114
Total number of observations	149880	1742	10403
Number of reflections	30673
<I/σ(I)>	9.7	15.9	5.7
Completeness [%]	98.0	99.4	95.6
Redundancy	4.9	4.6	4.7
CC(1/2)	0.984	0.977	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100MM MES, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2, 10MM DTT