5WXX

Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with citrate

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	2011-07-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	P 32 2 1
Unit cell lengths	128.751, 128.751, 46.182
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.667 - 2.350
R-factor	0.18732
Rwork	0.187
R-free	0.20217
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.165
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.500	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	18567
<I/σ(I)>	32.4
Completeness [%]	99.9
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	25% (w/v) polyethylene glycol 3350, 0.1 M sodium citrate, pH 6.5, 0.2 magnesium chloride