4Z2C
Quinolone(Moxifloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
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 | 2014-04-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.030, 94.950, 274.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.245 - 3.190 |
R-factor | 0.2255 |
Rwork | 0.223 |
R-free | 0.26790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3raf 4i3h |
RMSD bond length | 0.003 |
RMSD bond angle | 0.717 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.700 | 3.110 |
High resolution limit [Å] | 3.030 | 3.030 |
Rmerge | 0.067 | 0.660 |
Number of reflections | 47637 | |
<I/σ(I)> | 9.6582 | 1.16 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 6.49 | 5.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 5-10% PEG 8000, 10-20% Ethylene glycol, 0.1M Imidazole/MES buffer system, 0.1M Amino Acids |