4NZZ

Crystal structure of epoxide hydrolase from bacillus megaterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-26
Detector	RAYONIX MX-225
Spacegroup name	P 21 21 21
Unit cell lengths	64.231, 76.006, 120.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.580 - 1.750
R-factor	0.188
Rwork	0.186
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.995
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((PHENIX.REFINE: 1.7_637))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.333	1.810
High resolution limit [Å]	1.749	1.750
Number of reflections	59760
Completeness [%]	99.0	91.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	293	0.5M LICL, 0.1M TRIS-HCL, 28% PEG 6000, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K, EVAPORATION