7W6G
TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-31 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.070000 |
Spacegroup name | P 1 |
Unit cell lengths | 58.021, 66.930, 95.094 |
Unit cell angles | 93.45, 102.11, 100.20 |
Refinement procedure
Resolution | 47.180 - 2.100 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gw3 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.617 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.180 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.112 | 0.807 |
Rmeas | 0.155 | 1.117 |
Number of reflections | 148561 | 4413 |
<I/σ(I)> | 4.8 | 1.1 |
Completeness [%] | 97.6 | 96.4 |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.993 | 0.684 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium acetate, 20% PEG3350 |