8QRT
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 | 2021-08-06 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.891, 52.989, 148.498 |
| Unit cell angles | 90.00, 91.67, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.000 |
| Rwork | 0.206 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.479 |
| 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] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.076 | 0.412 |
| Number of reflections | 77411 | 10009 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 90.6 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 293 | 17% (w/v) PEG4000, 23% 2-propanole, 100 mM tri sodium citrate trihydrate pH5,5 |
