7PCN
BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-31 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.880, 76.130, 79.110 |
| Unit cell angles | 90.00, 105.14, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.135 |
| Rwork | 0.134 |
| R-free | 0.15940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pcc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.442 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.091 | 0.573 |
| Number of reflections | 82909 | 13837 |
| <I/σ(I)> | 7.3 | 1.9 |
| Completeness [%] | 98.2 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Inidazole; 10% PEG 8K, 2 mM NAD+, 5 mM MgCl2, 2 mM gonydiol (5) |
