8JQO
Protocatecuate hydroxylase from Xylophilus ampelinus complexed with imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.260, 67.389, 128.234 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 46.450 - 1.600 |
| R-factor | 0.2239 |
| Rwork | 0.223 |
| R-free | 0.24650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k0i |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.773 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.0.32) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.450 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.066 | 0.500 |
| Rpim | 0.039 | 0.311 |
| Number of reflections | 194834 | 9626 |
| <I/σ(I)> | 10.6 | 2.4 |
| Completeness [%] | 98.8 | 98.8 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.995 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293.15 | 4% PEG 8000, 0.24 M Calcium acetate, 0.1 M Imidazole |
