2PPY

Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426

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	2006-10-09
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97915, 0.97973, 0.90000
Spacegroup name	P 21 21 2
Unit cell lengths	136.201, 137.345, 79.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.630 - 2.160
R-factor	0.176
Rwork	0.176
R-free	0.21900
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.087	0.291
Number of reflections	149368
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	40% PEG 400, 100mM imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K