12AZ
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-cyanocyclopent-1-ene-1-carboxylic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-04 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 116.193, 116.193, 188.142 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.710 - 1.700 |
| R-factor | 0.1634 |
| Rwork | 0.162 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.800 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.626 | 1.830 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 135418 | 6771 |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 95.8 | |
| Redundancy | 11 | |
| CC(1/2) | 0.999 | 0.448 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 8-18% PEG 6000, 0.1-0.25 M NaCl,14-20% Glycerol, 100 mM Tricine pH 7.8 |
