6RKP
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 132.908, 223.657, 86.721 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.700 - 1.700 |
R-factor | 0.18199 |
Rwork | 0.181 |
R-free | 0.20558 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v5z |
RMSD bond length | 0.008 |
RMSD bond angle | 1.365 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.710 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.096 | 1.666 |
Number of reflections | 141411 | 6932 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.998 | 0.503 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 4000, lithium sulphate, ADA buffer |