9GRR
Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Cinmethylin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 98.430, 98.430, 126.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.607 - 1.400 |
| Rwork | 0.216 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.713 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.610 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.056 | |
| Number of reflections | 59353 | 2943 |
| <I/σ(I)> | 16.6 | 1.2 |
| Completeness [%] | 97.4 | 97.6 |
| Redundancy | 8.8 | 7.3 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.3M ammonium sulphate, 0.1M sodium acetate pH 4.4 |
