8H72
Class I sesquiterpene synthase DbPROS (complex)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-26 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.844, 88.421, 201.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.560 - 2.090 |
R-factor | 0.1814 |
Rwork | 0.179 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold 2 prediction |
RMSD bond length | 0.007 |
RMSD bond angle | 0.807 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.560 | 2.150 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.135 | 0.475 |
Number of reflections | 43108 | 3154 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 99.4 | |
Redundancy | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 23% w/v PEG 3350, 0.1 M Bistris propane, 200 mM Sodium fluoride, pH 6.5 |