5XNJ

Crystal structure of Microcystis aeruginosa PCC 7806 aspartate/glutamate racemase in complex with L-glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97776
Spacegroup name	P 32 2 1
Unit cell lengths	129.247, 129.247, 44.292
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.820
R-factor	0.1879
Rwork	0.187
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wxx
RMSD bond length	0.008
RMSD bond angle	1.267
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	111.930	50.000	2.870
High resolution limit [Å]	2.820	7.650	2.820
Rmerge	0.067	0.036	0.462
Rmeas	0.072	0.039	0.509
Rpim	0.026	0.014	0.205
Number of reflections	10438
<I/σ(I)>	11.1
Completeness [%]	99.5	99.6	99.8
Redundancy	6.7	7.8	5.8
CC(1/2)		0.994	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	25% (w/v) polyethylene glycol 3350, 0.2 magnesium chloride