5YBW

Crystal structure of pyridoxal 5'-phosphate-dependent aspartate racemase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	94.181, 80.708, 87.991
Unit cell angles	90.00, 116.22, 90.00

Refinement procedure

Resolution	50.010 - 1.900
R-factor	0.2075
Rwork	0.205
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v71
RMSD bond length	0.010
RMSD bond angle	1.374
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.936	46.838	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.021	0.338
Rmeas	0.050	0.029	0.502
Rpim	0.025	0.015	0.275
Total number of observations	186532
Number of reflections	46230	1504	6439
<I/σ(I)>	17.9	26.3	2.3
Completeness [%]	99.2	98.4	95.1
Redundancy	4	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	PEG 4000, sodium acetate, ammonium acetate, glycerol