4Z53
Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97630 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 157.830, 157.830, 210.580 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 73.896 - 3.260 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k9f |
RMSD bond length | 0.003 |
RMSD bond angle | 0.709 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.900 | 3.090 |
High resolution limit [Å] | 3.010 | 3.010 |
Rmerge | 0.098 | 0.990 |
Number of reflections | 60603 | |
<I/σ(I)> | 5.9094 | 0.75 |
Completeness [%] | 100.0 | 99.92 |
Redundancy | 10.07 | 10.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 50 mM Na cacodylate, 100-150 mM NaCl, 4-7% isopropanol |