6W26
Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.860, 87.201, 163.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.820 - 2.150 |
R-factor | 0.2062 |
Rwork | 0.204 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5td7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.661 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.820 | 2.227 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.090 | 0.252 |
Rpim | 0.090 | 0.252 |
Number of reflections | 38801 | 3834 |
<I/σ(I)> | 4.9 | 2.83 |
Completeness [%] | 99.5 | |
Redundancy | 6 | |
CC(1/2) | 0.973 | 0.642 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 5 mg/mL FgGS, 2 mM indole, 10 mM magnesium chloride, 2 mM sodium pyrophosphate, 0.1 M Ammonium sulfate, 0.1 M Imidazole (pH 7.3), 24% (w/v) PEG monomethyl ether 5k, and 2% PEG 400 |