6FWC
Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-25 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.02 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.728, 222.051, 86.293 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.300 - 1.700 |
| R-factor | 0.16227 |
| Rwork | 0.162 |
| R-free | 0.18946 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.469 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.104 | |
| Rpim | 0.083 | |
| Number of reflections | 137691 | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.4 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 12% PEG4000, 100 mM ADA pH 6.5, 70 mM lithium sulphate |
