6GW3
Structure of TKS from Cannabis sativa in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-11 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.560, 123.288, 87.939 |
| Unit cell angles | 90.00, 109.55, 90.00 |
Refinement procedure
| Resolution | 82.870 - 1.390 |
| R-factor | 0.12012 |
| Rwork | 0.118 |
| R-free | 0.15469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yjy |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.791 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.870 | 1.420 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Number of reflections | 280655 | 13838 |
| <I/σ(I)> | 13.7 | 2.1 |
| Completeness [%] | 98.4 | 96.4 |
| Redundancy | 3.3 | 2.9 |
| CC(1/2) | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 279 | 20 % PEG 20000, 0.1 M Hepes, pH 7.0 |
