9WQZ

Ala/Ser-specific racemase in complex with PLP-D-Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	100.793, 100.793, 159.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.010 - 2.160
R-factor	0.1844
Rwork	0.182
R-free	0.23813
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.428
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.010	2.230
High resolution limit [Å]	2.160	2.160
Rmerge	0.160	1.659
Rmeas	0.164	1.723
Rpim	0.033	0.455
Total number of observations		27012
Number of reflections	22415	1946
<I/σ(I)>	19.7	1.8
Completeness [%]	100.0
Redundancy	24.1	13.9
CC(1/2)	0.999	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	ammonium sulfate, sodium acetate buffer