4KQV
Topoisomerase iv atp binding domain of francisella tularensis in complex with a small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-21 |
Detector | NOIR-1 |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.200, 163.160, 72.280 |
Unit cell angles | 90.00, 91.81, 90.00 |
Refinement procedure
Resolution | 66.060 - 2.380 |
R-factor | 0.25727 |
Rwork | 0.255 |
R-free | 0.29851 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hy1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.373 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 66.060 |
High resolution limit [Å] | 2.370 |
Rmerge | 0.076 |
Number of reflections | 40074 |
Completeness [%] | 96.0 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.4 | 277 | 10% PEG 4000, 10% ISOPROPANOL, 100 MM CITRATE, pH 5.4, VAPOR DIFFUSION, temperature 277K |