2ZBW

Crystal structure of thioredoxin reductase-like protein from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-11-17
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	61.364, 61.364, 371.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.22
Rwork	0.220
R-free	0.25900
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.095
Number of reflections	42641
<I/σ(I)>	39.7	13.7
Completeness [%]	98.7	89.3
Redundancy	11.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	70MM Bis-Tris pH6.5, 19.6% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 293K