1OJ9
HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH 1,4-DIPHENYL-2-BUTENE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 132.104, 224.022, 86.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25300 |
| Structure solution method | OTHER |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.107 | 0.202 |
| Number of reflections | 49954 * | |
| <I/σ(I)> | 4.8 | 3.5 |
| Completeness [%] | 90.6 | 66.7 |
| Redundancy | 5.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 * | 4 * | pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 12 (%(w/v)) | |
| 2 | 1 | reservoir | lithium sulfate | 70 (mM) | |
| 3 | 1 | reservoir | ADA | 100 (mM) | pH6.5 |
| 4 | 1 | drop | protein | 2 (mg/ml) | |
| 5 | 1 | drop | Zwittergent3-12 | 8.5 (mM) | |
| 6 | 1 | drop | potassium phosphate | 25 (mM) | pH7.5 |
