8WBK

Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L]

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	2017-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	42.130, 55.620, 64.200
Unit cell angles	67.34, 75.80, 75.80

Refinement procedure

Resolution	34.460 - 2.150
R-factor	0.2092
Rwork	0.205
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.845
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]	58.400	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.051	0.165
Rmeas	0.072	0.233
Rpim	0.051	0.165
Total number of observations	52583	3972
Number of reflections	26753	2005
<I/σ(I)>	8.5	3.1
Completeness [%]	95.5
Redundancy	2	2
CC(1/2)	0.993	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M potassium sodium tartrate tetrahydrate, 0.1M sodium citrate tribasic dihydrate pH5.6, 2.0M ammonium sulfate