6YT2
Crystal Structure of human monoamine oxidase B in complex with Diphenylene iodonium (DPI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 128.486, 222.544, 85.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.690 - 1.800 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.720 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.690 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 106149 | 7847 |
| <I/σ(I)> | 4.2 | |
| Completeness [%] | 98.7 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.980 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG4000, lithium sulphate, ADA buffer |
