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 |