3Q50
Structural analysis of a class I PreQ1 riboswitch aptamer in the metabolite-bound state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9769 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 110.782, 110.782, 59.605 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.010 - 2.750 |
| R-factor | 0.2144 |
| Rwork | 0.210 |
| R-free | 0.25220 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3gca |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.689 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.6_289) |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.800 |
| High resolution limit [Å] | 2.725 | 7.400 | 2.750 |
| Rmerge | 0.077 | 0.041 | 0.586 |
| Number of reflections | 6041 | ||
| <I/σ(I)> | 16.4 | ||
| Completeness [%] | 98.7 | 91.4 | 94.8 |
| Redundancy | 6.5 | 5.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 1.8 M Li2SO4, 0.05 M MES pH 5.6, and 0.01 M MgCl2(H20)6, vapor diffusion, hanging drop, temperature 293K |
