2BK5
Human Monoamine Oxidase B: I199F mutant in complex with isatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 130.843, 221.990, 86.072 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.830 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oj9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.180 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.200 |
| Number of reflections | 105716 | |
| <I/σ(I)> | 15.5 | 4.1 |
| Completeness [%] | 94.0 | 82.1 |
| Redundancy | 5.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | pH 6.2 |
