6VYD
Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Benzyltriethylammonium cation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.599, 87.260, 163.209 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.170 - 1.460 |
R-factor | 0.1513 |
Rwork | 0.150 |
R-free | 0.18380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ert |
RMSD bond length | 0.010 |
RMSD bond angle | 1.082 |
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] | 46.170 | 1.510 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.070 | 0.920 |
Rpim | 0.043 | 0.567 |
Number of reflections | 118843 | 11626 |
<I/σ(I)> | 11.2 | 1.8 |
Completeness [%] | 98.3 | |
Redundancy | 6.7 | |
CC(1/2) | 0.998 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/mL FgGS, 2 mM BTAC, 10 mM magnesium chloride, 2 mM sodium pyrophosphate, 0.2 M NaCl, 0.1 M Bis-Tris (pH 5.5), 25% (w/v) PEG 3350 |