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 |