6QTP
2.37A structure of gepotidacin with S.aureus DNA gyrase and uncleaved DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97242 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.341, 123.653, 94.099 |
Unit cell angles | 90.00, 117.10, 90.00 |
Refinement procedure
Resolution | 49.740 - 2.370 |
R-factor | 0.18503 |
Rwork | 0.183 |
R-free | 0.22388 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.811 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 |
High resolution limit [Å] | 2.370 | 2.370 |
Number of reflections | 66745 | |
<I/σ(I)> | 7.3 | |
Completeness [%] | 99.0 | |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.1 | 293 | 1ul preciptant solution and 0.7uls complex microbatch under paraffin oil. Precipitant is 9% PEG 5000MME, 80mM BisTris pH 6.1. Complex is 0.055mM dimer of S.aureus B27A56 (=0.11mM monomer), 0.16mM duplex DNA (=0.32mM single strand), 60mM Na2SO4, 3mM MnCl2, 18mM Hepes, pH 7.0. |