2CVJ

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-09
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97909, 0.9, 0.97933
Spacegroup name	C 2 2 21
Unit cell lengths	64.050, 79.690, 83.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.380 - 2.000
R-factor	0.203
Rwork	0.203
R-free	0.23600
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.970	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.047	0.129
Number of reflections	23729
<I/σ(I)>	21.2	10.2
Completeness [%]	99.8	100
Redundancy	6.94	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293	0.3M NaH2 Phosphate, 0.9M K2H Phosphate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K