8QYW

Human Pyridoxine-5'-phosphate oxidase mutant R225H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	82.880, 82.880, 60.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.470 - 2.746
R-factor	0.20054
Rwork	0.198
R-free	0.23894
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.727
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.780	2.792
High resolution limit [Å]	2.746	2.747
Number of reflections	6519	323
<I/σ(I)>	21.5
Completeness [%]	100.0
Redundancy	18.8
CC(1/2)	0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 M Ammonium Sulfate, 2% PEG400, 0.1 M HEPES pH 7.5.