9WVR
Structure of fungal flavonoid dehydratase CfvK cocrystallized with the product
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-18 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 91.999, 91.999, 109.271 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.000 - 1.310 |
| R-factor | 0.1516 |
| Rwork | 0.151 |
| R-free | 0.17040 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.730 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.340 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmeas | 0.280 | 2.109 |
| Number of reflections | 42604 | 2812 |
| <I/σ(I)> | 19.68 | 1.19 |
| Completeness [%] | 99.5 | 92.92 |
| Redundancy | 18.6 | 11.4 |
| CC(1/2) | 0.999 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1mM 6a, 0.1 M sodium citrate tribasic dihydrate (pH 5.8), 1.2 M lithium sulfate, and 0.5 M ammonium sulfate. |
