8EEJ
C. ammoniagenes monoamine oxidase (MAO) C424S variant bound to dopamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.977 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.207, 117.861, 141.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.820 - 1.540 |
R-factor | 0.1834 |
Rwork | 0.183 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8eei |
RMSD bond length | 0.009 |
RMSD bond angle | 1.016 |
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] | 29.820 | 1.596 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.106 | 0.669 |
Rmeas | 0.115 | 0.737 |
Rpim | 0.044 | 0.303 |
Number of reflections | 147936 | 14311 |
<I/σ(I)> | 11.4 | 2.2 |
Completeness [%] | 99.7 | 97.59 |
Redundancy | 6.8 | 5.8 |
CC(1/2) | 0.998 | 0.762 |
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 |