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 |