2YUT

Crystal Structure of Putative Short-Chain Oxidoreductase TTHB094 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	2006-06-27
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97888
Spacegroup name	P 63 2 2
Unit cell lengths	149.091, 149.091, 47.721
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.860 - 2.200
R-factor	0.19
Rwork	0.190
R-free	0.22400
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.180	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.070	0.325
Number of reflections	23182
<I/σ(I)>	21.5	9.1
Completeness [%]	99.7	100
Redundancy	20.51	21.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	10% 1,4-Dioxane, 1.6M Ammonium Sulfate, 0.1M MES, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	10% 1,4-Dioxane, 1.6M Ammonium Sulfate, 0.1M MES, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	10% 1,4-Dioxane, 1.6M Ammonium Sulfate, 0.1M MES, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K