2XFN
Human monoamine oxidase B in complex with 2-(2-benzofuranyl)-2- imidazoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.544, 222.445, 86.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.210 - 1.600 |
| R-factor | 0.16616 |
| Rwork | 0.166 |
| R-free | 0.18975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oja |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.650 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | |
| Number of reflections | 164059 | |
| <I/σ(I)> | 9.8 | 4.1 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
