8S8A

Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	P 43 21 2
Unit cell lengths	54.037, 54.037, 212.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.170 - 1.500
R-factor	0.1829
Rwork	0.182
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.803
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.170	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.081	3.670
Rmeas	0.083	3.743
Rpim	0.017	0.731
Number of reflections	51834	2480
<I/σ(I)>	17.5	1.1
Completeness [%]	100.0	100
Redundancy	25.6	26
CC(1/2)	0.999	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	PDXP at 10 mg/ml in 50 mM Triethanolamine, 250 mM NaCl and 5 mM MgCl2 was crystallized against 0.1 M HEPES, 15 % Tacsimate, 2 % PEG 3350