7CG2

Vigna radiata Epoxide hydrolase mutant

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)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	70.478, 70.478, 129.487
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.627 - 2.001
R-factor	0.2219
Rwork	0.220
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y6y
RMSD bond length	0.008
RMSD bond angle	1.071
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	0.432
Rmeas	0.054	0.441
Rpim	0.012	0.086
Number of reflections	22723	1104
<I/σ(I)>	65.4	8.694
Completeness [%]	99.6	100
Redundancy	22.1	26.2
CC(1/2)	0.999	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.15 M Tris-HCl, pH 8.5, 35% PEG33500