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 |