8WBQ

Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q complexed with L-TA.

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	2022-01-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978557
Spacegroup name	P 1
Unit cell lengths	40.643, 53.888, 61.959
Unit cell angles	67.07, 75.84, 75.97

Refinement procedure

Resolution	56.250 - 2.200
R-factor	0.1855
Rwork	0.182
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.657
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.250	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.245	1.221
Rmeas	0.294	1.514
Rpim	0.160	0.875
Total number of observations		4933
Number of reflections	23063	1694
<I/σ(I)>	5.8	3.3
Completeness [%]	98.2
Redundancy	3.4	2.9
CC(1/2)	0.926	0.264

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M sodium citrate tribasic, 0.2M potassium acetate, 20% PEG 3350