8RTR
Bilirubin oxidase from Myrothecium verrucaria with R356S mutation
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 136.072, 200.888, 217.306 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.785 - 2.050 |
| R-factor | 0.1598 |
| Rwork | 0.158 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.651 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.785 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.224 | 1.715 |
| Rmeas | 0.249 | 1.899 |
| Rpim | 0.106 | 0.802 |
| Number of reflections | 91634 | 4539 |
| <I/σ(I)> | 7 | 1 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.989 | 0.387 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 2.5 | 291.15 | 20% (w/v) PEG 3350, 0.1 M malonic acid pH 2.5, protein concentration 10 mg/ml |
