3SUX
Crystal structure of THF riboswitch, bound with THF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-20 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 126.173, 126.173, 149.222 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.18978 |
| Rwork | 0.188 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.165 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.104 | 0.610 |
| Number of reflections | 10132 | |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 8.5 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.1 M Na-HEPES, pH 7.5, 4.2 M Na-formate, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
