4Z4Q
Quinazolinedione(PD 0305970)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 158.020, 158.020, 211.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.588 - 3.040 |
| R-factor | 0.1639 |
| Rwork | 0.162 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k9f |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.410 |
| 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] | 44.590 | 2.950 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.087 | 0.680 |
| Number of reflections | 69416 | |
| <I/σ(I)> | 6.598 | 1.11 |
| Completeness [%] | 99.9 | 99.89 |
| Redundancy | 6.45 | 5.79 |
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 |
