5WXZ

Crystal structure of Microcystis aeruginosa PCC 7806 aspartate 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	2011-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 32 2 1
Unit cell lengths	129.097, 129.097, 44.641
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.257 - 2.800
R-factor	0.18421
Rwork	0.183
R-free	0.20246
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wxx
RMSD bond length	0.009
RMSD bond angle	1.264
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.800	2.850
High resolution limit [Å]	2.800	2.800
Number of reflections	10736
<I/σ(I)>	15.2
Completeness [%]	99.9
Redundancy	4.8

Crystallization Conditions

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