5ZMU

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	2013-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 2 1
Unit cell lengths	78.490, 94.250, 94.360
Unit cell angles	90.00, 95.90, 90.00

Refinement procedure

Resolution	40.350 - 1.500
R-factor	0.1491
Rwork	0.149
R-free	0.17020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y7d
RMSD bond length	0.011
RMSD bond angle	1.072
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	phenix.refine (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.350	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.115	0.664
Number of reflections	216906
<I/σ(I)>	6.7	1.8
Completeness [%]	99.7	98.4
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1 M sodium chloride, 0.1 M HEPES pH7.0, 1.6 M ammonium sulfate