8WMT

Crystal structure of cis-epoxysuccinic hydrolase from Bradyrhizobium mercantei

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	2023-09-10
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 43 21 2
Unit cell lengths	90.920, 90.920, 157.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.670 - 1.720
R-factor	0.1736
Rwork	0.172
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.815
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]	64.290	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.072	1.402
Rmeas	0.073	1.473
Rpim	0.015	0.442
Total number of observations	1590008	54749
Number of reflections	70748	5150
<I/σ(I)>	24.9	1.7
Completeness [%]	99.9
Redundancy	22.5	10.6
CC(1/2)	1.000	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.2 M Sodium citrate tribasic dihydrate, 0.1 M BIS-TRIS propane pH 6.0