9VAG
Crystal structure of CoA transferase from Thermus thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2019-11-02 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 146.342, 147.380, 171.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.260 - 2.630 |
| R-factor | 0.28588 |
| Rwork | 0.283 |
| R-free | 0.34713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oas |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.683 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.780 | 2.670 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.163 | 0.962 |
| Rmeas | 0.179 | 1.038 |
| Rpim | 0.072 | 0.390 |
| Total number of observations | 722996 | 37579 |
| Number of reflections | 109953 | 5395 |
| <I/σ(I)> | 6.6 | 1.9 |
| Completeness [%] | 99.7 | |
| Redundancy | 6.6 | 7 |
| CC(1/2) | 0.983 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10% PEG 3350, 6% MPD, 0.1M lithium sulfate, 0.05M imidazole, pH 6.5 |
