22UA
Crystal structure of AstC terpene cyclase domain in complex with albicanoyl monophosphate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-05-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 160.706, 160.706, 155.992 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.550 - 2.860 |
| R-factor | 0.2597 |
| Rwork | 0.258 |
| R-free | 0.28830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.841 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.298 | 2.684 |
| Number of reflections | 28137 | 2756 |
| <I/σ(I)> | 14.3 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.9 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium cacodylate trihydrate pH 6.5, 1.4M Sodium acetate trihydrate |
