5DDG
The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 2 3 |
| Unit cell lengths | 163.017, 163.017, 163.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 3.060 |
| R-factor | 0.2011 |
| Rwork | 0.200 |
| R-free | 0.22990 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.328 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.080 |
| High resolution limit [Å] | 3.050 | 10.400 | 3.050 |
| Rmerge | 0.110 | 0.095 | 0.851 |
| Total number of observations | 142294 | ||
| Number of reflections | 27538 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.7 | 90.1 | 100 |
| Redundancy | 5.2 | 4.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 20mM Magnesium chloride, 50 mM MOPS, 55% Tacsimate, 5mM hexammine cobalt chloride |
