5HRA

Crystal structure of an aspartate/glutamate racemase in complex with D-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	2015-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.989
Spacegroup name	P 1 21 1
Unit cell lengths	46.938, 48.248, 116.289
Unit cell angles	90.00, 92.92, 90.00

Refinement procedure

Resolution	32.610 - 1.597
R-factor	0.2337
Rwork	0.233
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hqt
RMSD bond length	0.009
RMSD bond angle	1.294
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10pre_2090: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.610	1.654
High resolution limit [Å]	1.597	1.597
Number of reflections	66927
<I/σ(I)>	16.12
Completeness [%]	96.0
Redundancy	2.9

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