1OJD
HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH Lauryldimethylamine-N-oxide (LDAO)
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 | P 1 |
| Unit cell lengths | 108.405, 132.431, 154.838 |
| Unit cell angles | 90.14, 90.45, 114.02 |
Refinement procedure
| Resolution | 40.000 - 3.100 |
| R-factor | 0.25232 |
| Rwork | 0.252 |
| R-free | 0.26000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gos |
| RMSD bond length | 0.016 * |
| RMSD bond angle | 1.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.088 | 0.201 |
| Number of reflections | 140447 | |
| <I/σ(I)> | 3.9 | 3.3 |
| Completeness [%] | 98.4 | 97.8 |
| Redundancy | 3.8 | 3.7 |
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 |
