8EZ1
Human Ornithine Aminotransferase (hOAT) co-crystallized with its inactivator 3-Amino-4-fluorocyclopentenecarboxylic 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 | 2019-10-29 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.127 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 202.170, 110.290, 57.120 |
Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
Resolution | 36.020 - 1.910 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.23660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oat |
RMSD bond length | 0.012 |
RMSD bond angle | 1.173 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.020 | 1.960 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 92197 | 6637 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 98.0 | |
Redundancy | 4.2 | |
CC(1/2) | 0.992 | 0.464 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | The crystals with the best morphology and size grew in a final condition containing 10% PEG 6000, 100 mM NaCl, 10% glycerol, 100 mM Tricine pH 7.8. |