12AV
Human Ornithine Aminotransferase cocrystallized with its inhibitor,(3S,4S)-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-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-04 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 201.250, 114.950, 186.840 |
| Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
| Resolution | 37.840 - 1.510 |
| R-factor | 0.1545 |
| Rwork | 0.153 |
| R-free | 0.18160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.408 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.890 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Number of reflections | 685702 | 50785 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.998 | 0.334 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | PEG 6000 8-18%, NaCl 0.1-0.25 M, glycerol 2-3.5%, 100 mM Tricine pH 7.8 |
