2BK4
Human Monoamine Oxidase B: I199F mutant in complex with rasagiline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 |
| Synchrotron site | SPring-8 |
| Temperature [K] | 100 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 132.026, 223.524, 86.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oj9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.183 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.350 |
| Number of reflections | 87975 | |
| <I/σ(I)> | 12.7 | 3.6 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | pH 6.20 |
