7JX9
The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-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 | 2019-12-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 115.304, 115.304, 185.431 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.210 - 1.960 |
| R-factor | 0.1871 |
| Rwork | 0.186 |
| R-free | 0.21270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oat |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.919 | 1.991 |
| High resolution limit [Å] | 1.958 | 1.958 |
| Rmerge | 0.186 | 1.800 |
| Rmeas | 0.196 | 1.980 |
| Rpim | 0.062 | 0.686 |
| Number of reflections | 102687 | 4891 |
| <I/σ(I)> | 11.6 | 1.2 |
| Completeness [%] | 99.6 | 96.7 |
| Redundancy | 9.946 | 7.854 |
| CC(1/2) | 0.998 | 0.381 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 10% PEG 6000, 100 mM NaCl, and 10% glycerol, Tricine 100 mM, pH 7.8 |
