7WII
The THF-II riboswitch bound to NPR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 66.605, 66.605, 93.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.300 - 2.750 |
| R-factor | 0.2061 |
| Rwork | 0.203 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7wi9 |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.365 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.460 | 2.750 |
| Rmerge | 0.092 | 0.068 | 0.927 |
| Rmeas | 0.095 | ||
| Total number of observations | 111627 | ||
| Number of reflections | 6580 | 614 | 624 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 9.3 | 8.3 | 10.3 |
| CC(1/2) | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 100mM sodium citrate pH6.5, 1.5-2.5M Ammonium Sulfate |
