3CTY

Crystal structure of T. acidophilum thioredoxin reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.2710
Spacegroup name	I 2 3
Unit cell lengths	165.950, 165.950, 165.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.350
Rwork	0.225
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.069	0.049	0.521
Number of reflections	31586
<I/σ(I)>	19.7
Completeness [%]	99.9	99.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	5.5	298	0.28 MgCl2, 0.1 Bis-Tris, 25% (w/v) PEG 3350, 25% PEG 400, pH 5.5, hanging drop, temperature 298K