9WYF
Crystal structure of the TC domain of a bifunctional sesterterpene synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.353, 51.904, 56.047 |
| Unit cell angles | 90.00, 107.66, 90.00 |
Refinement procedure
| Resolution | 26.700 - 2.050 |
| R-factor | 0.1958 |
| Rwork | 0.192 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.790 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.131 | 0.544 |
| Number of reflections | 27376 | 1387 |
| <I/σ(I)> | 25.1 | 3.6 |
| Completeness [%] | 99.5 | 92.3 |
| Redundancy | 5.7 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.2 M (NH4)2SO4, 0.1 M MES monohydrate pH 7.0, 30% (w/v) PEG monomethyl ether 5000 |
