7P4H
Crystal Structure of Monoamine Oxidase B in complex with inhibitor (+)-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 131.831, 222.767, 86.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.450 - 2.100 |
R-factor | 0.1688 |
Rwork | 0.168 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v5z |
RMSD bond length | 0.009 |
RMSD bond angle | 1.602 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.450 | 2.154 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 70675 | 5244 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 97.6 | |
Redundancy | 4.4 | |
CC(1/2) | 0.989 | 0.587 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | PEG 4000, lithium sulphate, ADA buffer |