6I3K
Bilirubin oxidase from Myrothecium verrucaria, mutant W396A in complex with ferricyanide
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 | 2018-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 136.906, 201.803, 217.869 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.930 - 1.600 |
| R-factor | 0.13189 |
| Rwork | 0.131 |
| R-free | 0.15402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200011284 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.670 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.930 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.074 | 0.635 |
| Rmeas | 0.086 | 0.738 |
| Rpim | 0.044 | 0.373 |
| Number of reflections | 195423 | 9686 |
| <I/σ(I)> | 9.2 | 1.5 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.998 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.1 | 291.15 | 14% (w/v) PEG 3350, 0.1 M succinic acid, protein concentration 25 mg/ml |
