6RKP
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 132.908, 223.657, 86.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.700 - 1.700 |
| R-factor | 0.18199 |
| Rwork | 0.181 |
| R-free | 0.20558 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.365 |
| 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] | 47.710 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.096 | 1.666 |
| Number of reflections | 141411 | 6932 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.998 | 0.503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 4000, lithium sulphate, ADA buffer |
