9WU1

Amino acid racemase in complex with PLP-D-Phe

This is a non-PDB format compatible entry.

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	2021-03-19
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.901, 133.203, 135.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.510 - 2.100
R-factor	0.16975
Rwork	0.168
R-free	0.19976
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.613
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	68318	4551
<I/σ(I)>	11.7
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.990	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	3-methyl-1,5-pentanediol, sodium acetate buffer