5DJL

Structure of WT Human Glutathione Transferase in complex with cisplatin in the presence of glutathione.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-11-09
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	77.450, 89.940, 68.780
Unit cell angles	90.00, 98.03, 90.00

Refinement procedure

Resolution	29.178 - 1.800
R-factor	0.1507
Rwork	0.149
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gss
RMSD bond length	0.004
RMSD bond angle	0.955
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.580	31.580	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.073	0.034	0.506
Rpim	0.041	0.024	0.288
Total number of observations	175670	1272	9899
Number of reflections	43040
<I/σ(I)>	9.6	17.6	2.9
Completeness [%]	99.6	97.3	98.4
Redundancy	4.1	3.5	4
CC(1/2)	0.997	0.989	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100MM MES, PH 5.5, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2 10MM DTT, 10MM GSH. Soaked in 0.1MM Cisplatin for 24hrs.