2XCG
Tranylcypromine-inhibited 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 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.893, 223.706, 86.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.980 - 1.900 |
| R-factor | 0.15601 |
| Rwork | 0.155 |
| R-free | 0.18941 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1OJB |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.495 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.100 |
| Number of reflections | 100933 |
| Completeness [%] | 100.0 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PEG 4000 12%, LISO4 70MM, ADA 0.1M PH 6.5 |
