9F7B
Thioesterase domain (GbnD6 TE domain) from the gladiolin PKS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-07-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.745, 60.009, 63.472 |
| Unit cell angles | 90.00, 95.79, 90.00 |
Refinement procedure
| Resolution | 43.500 - 2.000 |
| Rwork | 0.172 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.341 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | 2.000 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.155 | 0.652 |
| Number of reflections | 19199 | 3735 |
| <I/σ(I)> | 9.87 | 2.38 |
| Completeness [%] | 99.9 | 99.97 |
| Redundancy | 8.7 | 8.7 |
| CC(1/2) | 0.995 | 0.847 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 8000 and 0.1 M CHES (pH 8.5). |
