3RAF
Quinazolinedione-DNA cleavage complex of type IV topoisomerase 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 | CCD |
Collection date | 2010-08-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9762 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 158.550, 158.550, 210.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 114.977 - 3.240 |
R-factor | 0.1681 |
Rwork | 0.167 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.283 |
Data reduction software | xia2 ((mosflm)) |
Data scaling software | xia2 ((scala)) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 114.977 | 114.970 | 2.780 |
High resolution limit [Å] | 2.710 | 12.120 | 2.710 |
Rmerge | 0.239 | 0.057 | 1.936 |
Number of reflections | 83426 | ||
<I/σ(I)> | 8.6 | 8.6 | 0.4 |
Completeness [%] | 99.9 | 97.2 | 100 |
Redundancy | 6 | 5.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 304 | 50 mM sodium cacodylate, 5-6% isopropanol, optimised mixture of salts, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 304K |