1PMT

GLUTATHIONE TRANSFERASE FROM PROTEUS MIRABILIS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1997-08
Detector	MARRESEARCH
Spacegroup name	P 41 2 2
Unit cell lengths	57.200, 57.200, 129.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.202
Rwork	0.202
R-free	0.30100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LUCILIA CUPRINA GST (POLYALANINE ALL LOOPS REMOVED)
RMSD bond length	0.007 *
RMSD bond angle	1.200 *
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]	20.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.080 *	0.329 *
Total number of observations	31800 *
Number of reflections	7618
<I/σ(I)>	17	4
Completeness [%]	95.0	95.7
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		pH 4.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3-4 (mg/ml)
2	1	reservoir	PEG6000	20 (%)
3	1	reservoir	citrate	100 (mM)
4	1	reservoir	GSH	10 (mM)