7P4F
Crystal Structure of Monoamine Oxidase B in complex with inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.243, 222.428, 86.206 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.310 - 2.300 |
| R-factor | 0.1627 |
| Rwork | 0.161 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.446 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.310 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 54746 | 4014 |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.3 | |
| CC(1/2) | 0.990 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | PEG 4000, lithium sulfate, ADA buffer |
