5GRT

HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-18
Temperature [K]	277
Detector technology	AREA DETECTOR
Collection date	1992-02
Detector	SIEMENS
Spacegroup name	B 1 1 2
Unit cell lengths	120.120, 84.790, 63.650
Unit cell angles	90.00, 90.00, 58.41

Refinement procedure

Resolution	10.000 - 2.400
R-factor	0.197
Rwork	0.197
Structure solution method	DIRECT BASED ON KNOWN MODEL
Starting model (for MR)	1grt
RMSD bond length	0.012
RMSD bond angle	25.420 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.530
High resolution limit [Å]	2.300	2.400
Rmerge	0.056 *
Total number of observations	29646 *
Number of reflections	16124
Completeness [%]	84.8	40.9
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		0.57-0.90 M AMMONIUM SULFATE, 100 MM POTASSIUM PHOSPHATE, PH 8.0, AND 0.5% 1-N-BETA-OCTYL-D-GLUCOPYRANOSIDE HANGING DROP VAPOR DIFFUSION, CRYSTAL SOAKED IN ARTIFICIAL MOTHER LIQUOR AT PH 8.0,CONTAINING 0.5% BETA-OCTYL GLUCOSIDE AND 42 MM GLUTATHIONYLSPERMIDINE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	0.57-0.59 (M)
2	1	drop	potassium phosphate	100 (mM)
3	1	drop	1-n-octyl-beta-D-glucopyranoside	0.5 (%(w/v))
4	1	reservoir	ammonium sulfate	0.57-0.59 (M)
5	1	reservoir	potassium phosphate	100 (mM)