8EEF
C. ammoniagenes monoamine oxidase (MAO) bound to octopamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.100, 98.691, 143.095 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.890 - 2.210 |
R-factor | 0.198 |
Rwork | 0.196 |
R-free | 0.23950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.097 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.980 | 2.289 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.220 | 0.897 |
Rmeas | 0.224 | 0.916 |
Rpim | 0.045 | 0.183 |
Number of reflections | 46205 | 4531 |
<I/σ(I)> | 13.8 | 3.3 |
Completeness [%] | 99.9 | 99.87 |
Redundancy | 25.6 | 24.8 |
CC(1/2) | 0.998 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 10 - 15% w/v PEG-3350, 0.1 M sodium malonate, pH 5.0 |