6E1W
Crystal structure of a class I PreQ1 riboswitch complexed with PreQ1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 52.297, 52.297, 179.215 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.910 - 1.690 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.989 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.800 | 44.800 | 1.720 |
| High resolution limit [Å] | 1.690 | 9.100 | 1.690 |
| Rmerge | 0.037 | 0.025 | 1.411 |
| Rmeas | 0.037 | 0.026 | 1.450 |
| Rpim | 0.006 | 0.006 | 0.326 |
| Total number of observations | 569211 | ||
| Number of reflections | 17169 | 165 | 783 |
| <I/σ(I)> | 44.4 | ||
| Completeness [%] | 99.6 | 99.7 | 96.2 |
| Redundancy | 33.2 | 23.2 | 19 |
| CC(1/2) | 1.000 | 1.000 | 0.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 294 | 0.01 M magnesium acetate, 0.05 M MES (pH 5.6), 2.7 M ammonium sulfate |
