8WBN

Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	43.404, 58.552, 64.086
Unit cell angles	69.88, 73.55, 82.69

Refinement procedure

Resolution	38.900 - 2.500
R-factor	0.2133
Rwork	0.211
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.570
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.550	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.091	0.312
Rmeas	0.129	0.440
Rpim	0.091	0.310
Total number of observations	33094	3751
Number of reflections	17521	1990
<I/σ(I)>	4.3	1.6
Completeness [%]	89.1
Redundancy	1.9	1.9
CC(1/2)	0.979	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M ammonium sulfate, 0.1M Bis-tris, pH6.5, 25% PEG 3350