12AY
Human Ornithine Aminotransferase soaked with its inhibitor,(3S,4S)-3-amino-4-ethynylcyclopent-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 | 2025-12-06 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 115.820, 115.820, 186.275 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.250 - 1.580 |
| R-factor | 0.1693 |
| Rwork | 0.168 |
| R-free | 0.19220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.194 |
| 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] | 100.303 | 1.666 |
| High resolution limit [Å] | 1.580 | 1.583 |
| Number of reflections | 176489 | 8825 |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 96.5 | |
| Redundancy | 20.7 | |
| CC(1/2) | 0.999 | 0.306 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 7.5% PEG 6000, 0.1 M NaCl, 2% glycerol, 100 mM Tricine pH 7.8 |
