7W5J
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-06-27 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.528, 98.506, 72.479 |
| Unit cell angles | 90.00, 94.48, 90.00 |
Refinement procedure
| Resolution | 31.910 - 2.050 |
| R-factor | 0.1435 |
| Rwork | 0.142 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4okm |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 2.080 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.056 | 0.162 |
| Number of reflections | 91509 | 1984 |
| <I/σ(I)> | 20 | 6 |
| Completeness [%] | 99.8 | 98 |
| Redundancy | 6 | 3.1 |
| CC(1/2) | 1.000 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298 | 1.2 M Sodium malonate, pH 6.0 |
