9HRB
A canonical homodimer of type III polyketide synthase from Aspergillus thesauricus IBT 34227
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.390, 89.970, 141.243 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.026 - 1.900 |
| Rwork | 0.170 |
| R-free | 0.20530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.755 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.080 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 72348 | 4415 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Tris (pH 8.5), 0.03 M MgCl 2 , 0.03 M CaCl 2 , 10% (w/v) PEG8000, and 20% (w/v) PEG200 |
