9H64
Crystal structure of Thermoanaerobacterales bacterium monoamine oxidase in complex with n-heptylamine
This is a non-PDB format compatible entry.
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 | 2024-06-27 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.972, 103.690, 120.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.360 - 1.600 |
| R-factor | 0.19608 |
| Rwork | 0.195 |
| R-free | 0.22611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.616 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.360 | 1.642 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 110383 | 5536 |
| <I/σ(I)> | 14.1 | 3.5 |
| Completeness [%] | 96.7 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.942 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG4000, 100 mM TRIS/HCl buffer pH 8.5, 200 mM MgCl2 |
