5NY8
The structure of the thermobifida fusca guanidine III riboswitch with aminoguanidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.92019 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 83.390, 83.390, 66.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.955 - 2.040 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.22510 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.861 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((dev_2219: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.960 | 2.080 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.049 | 1.023 |
| Rpim | 0.023 | 0.462 |
| Number of reflections | 32303 | 842 |
| <I/σ(I)> | 16.68 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.64 | 5.7 |
| CC(1/2) | 0.999 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1MSodium chloride, 0.02M Magnesium chloride hexahydrate, 0.05M BisTris7.0, 30% v/vMPD |
