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 |