5CDN
2.8A structure of etoposide with S.aureus DNA gyrase and DNA
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 | 2011-01-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.782, 170.081, 124.540 |
Unit cell angles | 90.00, 102.27, 90.00 |
Refinement procedure
Resolution | 39.350 - 2.790 |
R-factor | 0.2143 |
Rwork | 0.213 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xcs |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.580 | 2.800 |
Rmerge | 0.103 | 0.060 | 0.399 |
Number of reflections | 87189 | ||
<I/σ(I)> | 10.1 | ||
Completeness [%] | 96.6 | 91.7 | 96.1 |
Redundancy | 3 | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.2 | 293 | 150mM Bis Tris pH6.2, 11% PEG 5000 MME |