8WWS

Crystal structure of cis-epoxysuccinate hydrolase from Klebsiella oxytoca with L(+)-tartaric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 2
Unit cell lengths	114.616, 114.700, 86.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.080 - 1.790
R-factor	0.1917
Rwork	0.183
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.015
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.750	1.830
High resolution limit [Å]	1.790	1.790
Rmerge	0.141	0.504
Rmeas	0.151	0.560
Rpim	0.052	0.243
Total number of observations		16214
Number of reflections	105692	3115
<I/σ(I)>	10.2	2.2
Completeness [%]	99.9
Redundancy	7.7	5.2
CC(1/2)	0.992	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium citrate, 0.1 M Bis-tris propane pH 6.5, 20-25% PEG3350