6FVZ
Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-20 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.182, 222.753, 86.482 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.000 - 1.800 |
| R-factor | 0.16895 |
| Rwork | 0.168 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.481 |
| 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] | 47.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.164 | |
| Rpim | 0.102 | |
| Number of reflections | 117061 | |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.4 | |
| Redundancy | 6.8 |
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 |
