8RTO
Bilirubin oxidase from Myrothecium verrucaria in complex with ATP
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 | CCD |
| Collection date | 2012-05-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 134.468, 204.726, 221.388 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.499 - 2.400 |
| R-factor | 0.16969 |
| Rwork | 0.170 |
| R-free | 0.22425 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.775 |
| 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] | 46.950 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.122 | 0.636 |
| Rmeas | 0.139 | 0.730 |
| Rpim | 0.065 | 0.346 |
| Number of reflections | 106801 | 5409 |
| <I/σ(I)> | 10.5 | 2.2 |
| Completeness [%] | 90.4 | 93.6 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 0.992 | 0.689 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 291.15 | 14% (w/v) PEG 3350, 0.1 M citric acid, pH 3.5; protein concentration 25 mg/ml |
