5DJM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	77.517, 90.130, 68.943
Unit cell angles	90.00, 97.85, 90.00

Refinement procedure

Resolution	27.978 - 1.900
R-factor	0.2083
Rwork	0.207
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gss
RMSD bond length	0.013
RMSD bond angle	1.424
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.880	46.880	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.076	0.094
Rpim	0.030	0.047	0.327
Total number of observations	268519	1144	17634
Number of reflections	36278
<I/σ(I)>	18.1	34.9	2.9
Completeness [%]	98.2	68.3	98
Redundancy	7.4	4.7	7.6
CC(1/2)	0.998	0.957	0.862

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. Soaked in 0.1MM Cisplatin for 24hrs