8WNH

Crystal structure of cis-epoxysuccinate hydrolase from Rhodococcus opacus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-27
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	76.954, 76.954, 221.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.375 - 1.773
R-factor	0.1908
Rwork	0.190
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.690	1.870
High resolution limit [Å]	1.770	1.770
Rmerge	0.075	1.733
Rmeas	0.077	1.766
Rpim	0.015	0.339
Total number of observations	1644287	253387
Number of reflections	63411	9416
<I/σ(I)>	27	2.7
Completeness [%]	96.6
Redundancy	25.9	26.9
CC(1/2)	1.000	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	3.5 M sodium formate, 0.1 M BIS-TRIS propane, pH 7.0