8Y2S
P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.980000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.251, 141.900, 89.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.785 - 2.000 |
| R-factor | 0.2199 |
| Rwork | 0.218 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.711 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.785 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | 0.867 |
| Number of reflections | 31316 | 3058 |
| <I/σ(I)> | 19 | 2.64 |
| Completeness [%] | 99.5 | 99.29 |
| Redundancy | 6.7 | 7 |
| CC(1/2) | 0.999 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% PEG 3350, 0.24 M sodium citrate, 0.1 M Bis-trispropane pH6.5, 80 mM 4-hydroxy-3-methylbenzoic acid |
