4A7A
Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.470, 223.220, 86.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.190 - 1.700 |
| R-factor | 0.18684 |
| Rwork | 0.186 |
| R-free | 0.21362 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.155 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 140773 | |
| <I/σ(I)> | 10.5 | 2.6 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 12% PEG4000, 100 MM ADA PH 6.5, 70 MM LITHIUM SULPHATE |
