8X38
Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium
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 | 2021-06-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.632, 97.130, 106.596 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.770 - 2.000 |
| R-factor | 0.18174 |
| Rwork | 0.180 |
| R-free | 0.21475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.641 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.054 | 0.872 |
| Rmeas | 0.056 | 0.906 |
| Rpim | 0.015 | 0.244 |
| Total number of observations | 696271 | 37527 |
| Number of reflections | 53038 | 2769 |
| <I/σ(I)> | 30.3 | 3.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 | 13.6 |
| CC(1/2) | 1.000 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 0.2M Calcium acetate hydrate, 0.1 M Sodium cacodylate trihydrate, 18% (w/v) Polyethylene glycol 8,000 |
