1ERV

HUMAN THIOREDOXIN MUTANT WITH CYS 73 REPLACED BY SER (REDUCED FORM)

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1995-07-31
Detector	ENRAF-NONIUS FAST
Spacegroup name	C 1 2 1
Unit cell lengths	67.800, 26.330, 51.540
Unit cell angles	90.00, 95.04, 90.00

Refinement procedure

Resolution	7.000 - 1.650
R-factor	0.21
Rwork	0.210
R-free	0.24000
RMSD bond length	0.016
RMSD bond angle	24.800 *
Data reduction software	MADNES
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000
High resolution limit [Å]	1.650
Rmerge	0.064
Total number of observations	22700 *
Number of reflections	9449 *
Completeness [%]	85.0	69 *
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	3.8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium acetate	10 (mM)
2	1	drop	MPD	25 (%(v/v))
3	1	drop	dithiothreitol	5 (mM)
4	1	reservoir	sodium acetate	10 (mM)
5	1	reservoir	MPD	50 (%(v/v))
6	1	reservoir	dithiothreitol	5 (mM)