8V9M
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-14 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.1272 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 115.334, 115.334, 186.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.010 - 1.610 |
| R-factor | 0.1656 |
| Rwork | 0.164 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.340 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.882 | 1.630 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Number of reflections | 186618 | 9233 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 13.3 |
| CC(1/2) | 0.998 | 0.354 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 10% PEG 6000, 100 mM NaCl, 20% glycerol, 100 mM tricine, pH 7.8 |
