7Y9H
Crystal structure of diterpene synthase VenA from Streptomyces venezuelae ATCC 15439
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-01 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 32 |
| Unit cell lengths | 93.999, 93.999, 80.747 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.370 - 2.030 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tbd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.543 |
| 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] | 36.370 | 2.060 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.063 | 0.376 |
| Number of reflections | 51535 | 2181 |
| <I/σ(I)> | 13.2 | 2.2 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 4.3 | 3.13 |
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 |
