9WRF

Amino acid racemase in complex with PLP-L-Ile

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	PIXEL
Collection date	2020-12-10
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.644, 132.375, 136.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.560 - 2.870
R-factor	0.1896
Rwork	0.186
R-free	0.25806
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.414
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.940
High resolution limit [Å]	2.870	7.840	2.870
Rmerge		0.035	0.511
Rmeas		0.038	0.579
Rpim		0.015	0.267
Number of reflections	24849	1483	1247
<I/σ(I)>	7.6
Completeness [%]	92.5	99.6	95.5
Redundancy	4.5	6.1	4.4
CC(1/2)	0.990	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	MPD, Na acetate buffer