7PCO
BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): 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 | 2021-03-28 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.730, 83.400, 104.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.1775 |
| Rwork | 0.176 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7pcc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.429 |
| 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 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.082 | 0.549 |
| Number of reflections | 93303 | 16041 |
| <I/σ(I)> | 8.1 | 2 |
| Completeness [%] | 96.4 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M NaAc; 0.05 M M MgAc2, 10% PEG 8K, 2 mM NAD+, 5 mM MgCl2, 2 mM (12) |
