1GTI

MODIFIED GLUTATHIONE S-TRANSFERASE (PI) COMPLEXED WITH S (P-NITROBENZYL)GLUTATHIONE

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1995-07
Spacegroup name	P 21 21 21
Unit cell lengths	62.450, 132.690, 214.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.000
R-factor	0.246
Rwork	0.246
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1glq
RMSD bond length	0.006 *
RMSD bond angle	21.630 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	3.200
High resolution limit [Å]	3.000	3.000
Rmerge	0.130 *	0.200
Number of reflections	28900 *
<I/σ(I)>	3.7
Completeness [%]	79.4 *	73.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.4		pH 6.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5 (mg/ml)
2	1	drop	PEG8000	3.3 (%)
3	1	drop	MOPS	0.017 (M)
4	1	drop	ammonium sulfate	0.033 (M)
5	1	drop	MES	0.033 (M)
6	1	reservoir	PEG8000	10 (%)
7	1	reservoir	MOPS	50 (mM)