7Y9G
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439 in complex with pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-13 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 32 |
| Unit cell lengths | 92.789, 92.789, 81.048 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.020 - 2.180 |
| R-factor | 0.1783 |
| Rwork | 0.175 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tbd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.464 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.020 | 2.210 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.065 | 0.414 |
| Number of reflections | 40733 | 1690 |
| <I/σ(I)> | 10.43 | 2.07 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.49 | 3.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 25% PEG SMEAR MEDIUM; 0.1M HEPES; pH 7.5 |
