6FW0
Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
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 | 2016-10-21 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.993 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.410, 221.991, 86.106 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.200 - 1.600 |
| R-factor | 0.16588 |
| Rwork | 0.165 |
| R-free | 0.19078 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.418 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.114 | |
| Rpim | 0.090 | |
| Number of reflections | 164973 | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 12% PEG4000, 100 mM ADA buffer pH 6.5, 70 mM lithium sulphate |
