1AUC

HUMAN THIOREDOXIN (OXIDIZED WITH DIAMIDE)

Experimental procedure

Temperature [K]	296
Detector technology	DIFFRACTOMETER
Collection date	1997-05
Detector	ENRAF-NONIUS FAST
Spacegroup name	C 1 2 1
Unit cell lengths	67.750, 26.290, 51.620
Unit cell angles	90.00, 95.14, 90.00

Refinement procedure

Resolution	26.000 - 2.100
R-factor	0.19
Rwork	0.190
R-free	0.27000
RMSD bond length	0.007
RMSD bond angle	27.040 *
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]	26.000
High resolution limit [Å]	2.100
Rmerge	0.027 *
Total number of observations	8553 *
Number of reflections	5391
<I/σ(I)>	18.8
Completeness [%]	98.2	94.4 *
Redundancy	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5		pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	diamide	7.25 (mM)
3	1	drop		5 (mM)
4	1	drop	DTT	2.5 (mM)
5	1	drop	PEG4000	9 (%)
6	1	reservoir	PEG4000	18 (%)
7	1	reservoir		200 (mM)