6I3L
Bilirubin oxidase from Myrothecium verrucaria, mutant W396F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | Excillum MetalJet D2 70 kV |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-17 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.3418 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 136.250, 200.663, 217.121 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.540 - 2.100 |
| R-factor | 0.16064 |
| Rwork | 0.159 |
| R-free | 0.19594 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1200011284 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.539 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.540 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.188 | 0.649 |
| Rmeas | 0.212 | 0.759 |
| Rpim | 0.095 | 0.386 |
| Number of reflections | 83782 | 3866 |
| <I/σ(I)> | 7.3 | 2.1 |
| Completeness [%] | 97.3 | 82.4 |
| Redundancy | 4.8 | 3.5 |
| CC(1/2) | 0.990 | 0.697 |
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 |
