7R0X
Structure of the branching thioesterase from oocydin biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2021-05-08 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 |
| Unit cell lengths | 106.818, 106.818, 78.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.760 - 2.830 |
| R-factor | 0.2293 |
| Rwork | 0.224 |
| R-free | 0.28050 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.511 |
| Data scaling software | XDS |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19-4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.760 | 2.930 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Number of reflections | 144817 | 1055 |
| <I/σ(I)> | 12.3 | 1.06 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.7 | 13.5 |
| CC(1/2) | 0.997 | 0.597 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.1 | 1.809M ammonium sulfate, 100mM HEPES pH 7.5, 4.14% PEG 8K (w/v), 3.95% PEG400 (v/v) |
