3RAE
Quinolone(Levofloxacin)-DNA cleavage complex of type IV topoisomerase 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 | CCD |
Collection date | 2010-09-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 157.831, 157.831, 211.147 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.832 - 2.900 |
R-factor | 0.1899 |
Rwork | 0.186 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k9f |
RMSD bond length | 0.008 |
RMSD bond angle | 1.221 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.085 | 0.036 | 0.840 |
Number of reflections | 93164 | ||
<I/σ(I)> | 13.789 | 22.91 | 1.2 |
Completeness [%] | 99.1 | 96.7 | 95.3 |
Redundancy | 4.5 | 4.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.5 | 304 | 50mM sodium cacodylate, 7% isopropanol, pH 6.5, LIQUID DIFFUSION, temperature 304K |