8P8K
Acyl-ACP thioesterase from Lemna paucicostata in complex with a thiazolopyridine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-12-02 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 93.168, 93.168, 135.957 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.130 - 2.800 |
| Rwork | 0.221 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.535 |
| Data reduction software | CrysalisPro |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.130 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.102 | 0.473 |
| Number of reflections | 17077 | 2456 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 98.9 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.993 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 1.0 M sodium citrate tribasic, 100 mM MES pH 6.0 |
