7CG6

Vigna radiata Epoxide hydrolase mutant M263Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	70.813, 70.813, 127.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.113 - 2.000
R-factor	0.223
Rwork	0.219
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y6y
RMSD bond length	0.007
RMSD bond angle	1.066
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.052	0.856
Rmeas	0.068
Rpim	0.015
Number of reflections	22019	1091
<I/σ(I)>	46.66	4.32
Completeness [%]	97.1	100
Redundancy	22	25.3
CC(1/2)	0.999	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.15 M Tris-HCl, pH 8.5, 35% PEG3350