9MHS
Drimenol synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.902, 76.253, 106.429 |
| Unit cell angles | 90.00, 111.68, 90.00 |
Refinement procedure
| Resolution | 34.230 - 2.230 |
| R-factor | 0.2071 |
| Rwork | 0.206 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.846 |
| Data reduction software | autoPROC |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2-5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.420 | 2.267 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.174 | 1.297 |
| Rmeas | 0.199 | 1.477 |
| Rpim | 0.095 | 0.698 |
| Number of reflections | 65482 | 3278 |
| <I/σ(I)> | 2.23 | |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 4.5 | |
| CC(1/2) | 0.989 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 13 mg/mL Drimenol Synthase, Tris-HCl, NaCl, TCEP, glycerol, benzyltriethylammonium chloride (BTAC), sodium pyrophosphate, Magnesium chloride hexhydrate, HEPES, sodium chloride, 25% w/v PEG 3350 |
