5DD4
Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI
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) | 0.97934 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 123.735, 123.735, 123.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.160 - 2.560 |
| R-factor | 0.1847 |
| Rwork | 0.183 |
| R-free | 0.22190 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.311 |
| 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 | 2.580 |
| High resolution limit [Å] | 2.560 | 8.740 | 2.560 |
| Rmerge | 0.114 | 0.074 | 0.992 |
| Total number of observations | 111364 | ||
| Number of reflections | 10292 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 99.9 | 97.5 | 100 |
| Redundancy | 10.8 | 9.5 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 2.1M Malic Acid |
