2V61
Structure of human MAO B in complex with the selective inhibitor 7-(3- chlorobenzyloxy)-4-(methylamino)methyl-coumarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 131.998, 222.539, 86.202 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 113.230 - 1.700 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oja |
RMSD bond length | 0.011 |
RMSD bond angle | 1.289 |
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] | 1.700 |
Rmerge | 0.070 |
Number of reflections | 138335 |
Completeness [%] | 99.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |