9C7J
Crystal structure of caryolan-1-ol synthase complexed with 2-fluorofarnesyl diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-13 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.648, 89.606, 114.814 |
| Unit cell angles | 90.00, 90.71, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.650 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.388 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4444) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.212 | 0.996 |
| Number of reflections | 40108 | 5805 |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 1.000 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | 28% PEG400, 200 mM CaCl2 and 100 mM HEPES, pH 7.5 |
