2V60
Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-carboxaldehyde-coumarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 130.694, 224.413, 86.811 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 113.230 - 2.000 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oja |
RMSD bond length | 0.017 |
RMSD bond angle | 1.554 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.130 |
Number of reflections | 85456 |
Completeness [%] | 99.3 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |