5DEQ
Crystal structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with L-arabinose
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 | 2012-11-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.114, 49.400, 90.200 |
| Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.16353 |
| Rwork | 0.160 |
| R-free | 0.22045 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.289 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
| Rmerge | 0.041 | 0.027 | 0.345 |
| Total number of observations | 129203 | ||
| Number of reflections | 36544 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 99.6 | 96.3 | 96.7 |
| Redundancy | 3.5 | 3.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 297 | 0.2M Magnesium formate, 20% PEG3350 |
