4A79
Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-27 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 131.920, 223.670, 86.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.280 - 1.890 |
| R-factor | 0.17869 |
| Rwork | 0.178 |
| R-free | 0.20810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5z |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.199 |
| 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] | 39.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.310 |
| Number of reflections | 102915 | |
| <I/σ(I)> | 12.7 | 4.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 12% PEG 4000, 100 MM ADA PH 6.5, 70 MM LITHIUM SULPHATE |
