7E9I
Crystal structure of a class I PreQ1 riboswitch aptamer (wild-type) complexed with a cognate ligand-derived photoaffinity probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 113.240, 113.240, 59.520 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.000 - 2.800 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6e1w |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.174 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.177 | 1.930 |
| Number of reflections | 5804 | |
| <I/σ(I)> | 1.25 | |
| Completeness [%] | 98.0 | 96.1 |
| Redundancy | 8.2 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.3M potassium sodium tartrate, 0.1M sodium citrate (pH5.6), 2.2M ammonium sulfate |
