5HRC

Crystal structure of an aspartate/glutamate racemase in complex with L-aspartate

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	2015-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.989
Spacegroup name	P 1 21 1
Unit cell lengths	46.779, 48.234, 114.784
Unit cell angles	90.00, 95.12, 90.00

Refinement procedure

Resolution	32.730 - 1.765
R-factor	0.2202
Rwork	0.218
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hqt
RMSD bond length	0.007
RMSD bond angle	0.874
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2257: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.730	1.828
High resolution limit [Å]	1.765	1.765
Number of reflections	48432
<I/σ(I)>	20.06
Completeness [%]	91.0
Redundancy	3.4

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