8QS0
Acyl-ACP thioesterase from Lemna paucicostata in complex with a spirolactam
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS DIAMOND MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-16 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.667, 147.840, 81.243 |
| Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
| Resolution | 19.979 - 2.300 |
| Rwork | 0.258 |
| R-free | 0.28510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.451 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.979 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.105 | 0.423 |
| Number of reflections | 54778 | 7903 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20% (w/v) PEG4000, 23% 2-Propanole, 100mM tri sodium citrate trihydrate pH5,9 |
