1GRT

HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1991-10
Detector	SIEMENS
Spacegroup name	B 1 1 2
Unit cell lengths	119.800, 84.500, 63.200
Unit cell angles	90.00, 90.00, 58.70

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.209
Rwork	0.209
Structure solution method	DIRECT BASED ON KNOWN MODEL
Starting model (for MR)	3grs
RMSD bond length	0.014
RMSD bond angle	25.360 *
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]		2.400
High resolution limit [Å]	2.200	2.300
Rmerge	0.110 *
Total number of observations	33199 *
Number of reflections	20765 *
Completeness [%]	85.4	34
Redundancy	1.6

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, vapor diffusion - hanging drop

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)