1AIU

HUMAN THIOREDOXIN (D60N MUTANT, REDUCED FORM)

Experimental procedure

Source type	SEALED TUBE
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	1996-07-15
Detector	ENRAF-NONIUS FAST
Spacegroup name	C 1 2 1
Unit cell lengths	68.360, 26.760, 52.180
Unit cell angles	90.00, 95.02, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.179
Rwork	0.179
R-free	0.24000
RMSD bond length	0.014
RMSD bond angle	24.905 *
Data reduction software	MADNES
Data scaling software	CCP4
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]	2.000
Rmerge	0.038 *
Total number of observations	15528 *
Number of reflections	5545
Completeness [%]	85.7	75.3 *
Redundancy	2

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		10 (mM)
2	1	reservoir	dithiothreitol	5 (mM)
3	1	reservoir	MPD	50 (%(v/v))