4CRT
Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234
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 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 132.060, 223.250, 86.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.300 - 1.800 |
R-factor | 0.18734 |
Rwork | 0.186 |
R-free | 0.22083 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.448 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.100 |
Number of reflections | 115712 |
Completeness [%] | 98.3 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |