6F32
Crystal structure of a dual function amine oxidase/cyclase in complex with substrate analogues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 125.504, 125.504, 156.686 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.980 - 2.800 |
R-factor | 0.238 |
Rwork | 0.237 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.980 | 3.000 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.054 | 0.563 |
Rmeas | 0.058 | 0.605 |
Number of reflections | 35009 | 5780 |
<I/σ(I)> | 22.37 | 3.82 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.35 | 7.466 |
CC(1/2) | 0.999 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 15% PEG 8000, 160 mM calcium acetate, 20% glycerol, 80 mM sodium cacodylate, pH 6.5 |