6JU1
p-Hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4-dihydroxybenzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-14 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.29 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.866, 145.901, 86.421 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.130 - 1.600 |
| R-factor | 0.15945 |
| Rwork | 0.158 |
| R-free | 0.18594 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1iuv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.759 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.103 | 0.914 |
| Number of reflections | 59096 | |
| <I/σ(I)> | 28.1 | 1.3 |
| Completeness [%] | 99.6 | 93 |
| Redundancy | 12.4 | 7.8 |
| CC(1/2) | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.15 M KBr, 30% PEG 2000 monomethyl ether |
