8JQP
Protocatecuate hydroxylase from Xylophilus ampelinus complexed with 3,4-dihydroxybenzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.966, 65.074, 80.681 |
| Unit cell angles | 90.00, 107.55, 90.00 |
Refinement procedure
| Resolution | 47.520 - 1.650 |
| R-factor | 0.1838 |
| Rwork | 0.182 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k0i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0.32) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.520 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.048 | 0.497 |
| Rpim | 0.031 | 0.319 |
| Number of reflections | 86275 | 4251 |
| <I/σ(I)> | 13.3 | 2.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.999 | 0.816 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 6% PEG 8000, 0.24 M Calcium acetate, 0.1 M Tris, Soaked with 20 mM 3,4-dihydroxybenzoate |
