7Z9P
The novel DNA binding mechanism of ridinilazole, a precision Clostridiodes difficile antibiotic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-26 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.576, 40.320, 40.577 |
| Unit cell angles | 60.78, 87.31, 61.62 |
Refinement procedure
| Resolution | 30.100 - 2.200 |
| R-factor | 0.22485 |
| Rwork | 0.224 |
| R-free | 0.24137 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u2n |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.266 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.080 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 8926 | 725 |
| <I/σ(I)> | 5.3 | 1.1 |
| Completeness [%] | 96.4 | |
| Redundancy | 1.7 | |
| CC(1/2) | 0.990 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 0.01 M Zinc sulphate heptahydrate 0.1 M MES 6.5 25 % v/v PEG 500 MME |
