5KX9
Selective Small Molecule Inhibition of the FMN Riboswitch
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.280, 71.280, 138.930 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.040 - 2.900 |
| R-factor | 0.2177 |
| Rwork | 0.216 |
| R-free | 0.25110 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5c45 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.760 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK (0.1.27) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.030 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.064 | 0.860 |
| Number of reflections | 9428 | |
| <I/σ(I)> | 22.3 | 2.3 |
| Completeness [%] | 98.8 | 100 |
| Redundancy | 9.3 | 9.8 |
| CC(1/2) | 0.998 | 0.799 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 0.1 M NA ACETATE, PH 5.0, 0.2 M MGCL2, 7 TO 11% V/V PEG 4K |
