3SHO
Crystal structure of RpiR transcription factor from Sphaerobacter thermophilus (sugar isomerase domain)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-04 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.194, 77.816, 71.157 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 35.450 - 1.800 |
| R-factor | 0.1735 |
| Rwork | 0.173 |
| R-free | 0.20920 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.655 |
| Number of reflections | 68642 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 0.2 M sodium malonate, 20% PEG3350, in situ proteolysis with chymotrypsin, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
