5HQT

Crystal structure of an aspartate/glutamate racemase from Escherichia coli O157

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	47.985, 46.489, 117.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.991 - 1.598
R-factor	0.1849
Rwork	0.183
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ojc
RMSD bond length	0.012
RMSD bond angle	1.160
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2257: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.655
High resolution limit [Å]	1.598	1.598
Number of reflections	34485
<I/σ(I)>	22.36
Completeness [%]	93.0
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	293	1.0 M sodium citrate, 0.1 M CHES, 3.0% D (+)-Sucrose