29MS
Sesterterpene Synthase from Streptomyces sp. Tue 2975 (Sesterviolene Synthase, StSS, apo)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-05-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.000, 79.640, 129.600 |
| Unit cell angles | 90.00, 103.58, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.17551 |
| Rwork | 0.173 |
| R-free | 0.21948 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.059 | 0.692 |
| Number of reflections | 37113 | 4501 |
| <I/σ(I)> | 17 | 2.5 |
| Completeness [%] | 98.3 | 97.2 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 100 mM BisTris, 0.1 M MgCl2, 25% PEG 3350 |
