5O69
The structure of the thermobifida fusca guanidine III riboswitch with agmatine.
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 | 2017-05-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91972 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 83.886, 83.886, 67.226 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.324 - 2.319 |
| R-factor | 0.2442 |
| Rwork | 0.243 |
| R-free | 0.27010 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.840 |
| 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] | 49.340 | 2.360 |
| High resolution limit [Å] | 2.319 | 2.319 |
| Rmerge | 0.181 | 3.091 |
| Rpim | 0.034 | 0.568 |
| Number of reflections | 22683 | 580 |
| <I/σ(I)> | 13.17 | 1.4 |
| Completeness [%] | 100.0 | 98.1 |
| Redundancy | 29.2 | 30.3 |
| CC(1/2) | 1.000 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Magnesium acetate, 0.05 M MES pH 5.6, 20% v/v 2-Methyl-2,4-pentanediol |
