5C45
Selective Small Molecule Inhibition of the FMN Riboswitch
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1. |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.110, 71.110, 138.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.560 - 2.930 |
| R-factor | 0.2138 |
| Rwork | 0.213 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f4e |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.740 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.600 | 2.938 |
| High resolution limit [Å] | 2.928 | 2.928 |
| Rmerge | 0.019 | 1.160 |
| Number of reflections | 9222 | |
| <I/σ(I)> | 36.2 | 2.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1 M Na Acetate, pH 5.0, 0.2 M MgCl2, and 7 to 11% v/v PEG 4K |
