2YWL

Crystal structure of thioredoxin reductase-related protein TTHA0370 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-24
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	48.650, 51.140, 132.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.19
Rwork	0.190
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cvj
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.047	0.253
Number of reflections	44575
<I/σ(I)>	36.6	6.74
Completeness [%]	100.0	100
Redundancy	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M Magnesium chloride, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K