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 |