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 |
