5ZMY

Crystal structure of a cis-epoxysuccinate hydrolase producing D(-)-tartaric acids

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	2017-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 2
Unit cell lengths	135.159, 158.348, 134.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 1.870
R-factor	0.168
Rwork	0.168
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zmu
RMSD bond length	0.012
RMSD bond angle	1.096
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	158.350	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.128	0.608
Number of reflections	234863	17249
<I/σ(I)>	9.9	3.2
Completeness [%]	99.9	100
Redundancy	7.3	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1 M Tris pH 8.5, 0.1 M magnesium formate dihydrate