7PCC
BurG in complex with Mg2+ and NAD+ (holo): 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 | 2020-08-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.490, 82.740, 100.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.1869 |
| Rwork | 0.185 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tsk |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.204 |
| 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 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.096 | 0.570 |
| Number of reflections | 54278 | 7832 |
| <I/σ(I)> | 8.8 | 2.5 |
| Completeness [%] | 99.4 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1 M Bicine; 20% PEG 8K, 1 mM NAD+, 5 mM MgCl2 |
