6RKB
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1
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 EIGER X 4M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 132.345, 222.398, 86.389 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.890 - 2.300 |
R-factor | 0.17415 |
Rwork | 0.173 |
R-free | 0.21412 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v5z |
RMSD bond length | 0.007 |
RMSD bond angle | 1.230 |
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] | 68.900 | 2.370 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.145 | 0.650 |
Number of reflections | 56707 | 4600 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 99.7 | |
Redundancy | 5.6 | |
CC(1/2) | 0.991 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG4000, lithium sulphate, ADA buffer |