6FVZ
Crystal structure of human monoamine oxidase B (MAO B) in complex with dimethylphenyl-chromone-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-20 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.987 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 131.182, 222.753, 86.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.000 - 1.800 |
R-factor | 0.16895 |
Rwork | 0.168 |
R-free | 0.19870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v5z |
RMSD bond length | 0.011 |
RMSD bond angle | 1.481 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.164 | |
Rpim | 0.102 | |
Number of reflections | 117061 | |
<I/σ(I)> | 10.2 | |
Completeness [%] | 99.4 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 12% PEG4000, 100 mM ADA buffer pH 6.5, 70 mM lithium sulphate |