8FW4
Crystal structure of the adenosylcobalamin riboswitch holo conformation in absence of ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.60747 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 96.124, 243.844, 84.554 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.780 - 4.300 |
R-factor | 0.2644 |
Rwork | 0.263 |
R-free | 0.29490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.715 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487+SVN) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.780 | 41.780 | 4.410 |
High resolution limit [Å] | 4.300 | 19.230 | 4.300 |
Rmerge | 0.095 | 0.048 | 3.589 |
Rmeas | 0.105 | 0.054 | 3.970 |
Number of reflections | 6528 | 69 | 492 |
<I/σ(I)> | 5.62 | ||
Completeness [%] | 92.0 | ||
Redundancy | 5.2 | ||
CC(1/2) | 0.999 | 0.998 | 0.323 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | RNA buffer: 10 mM HEPES pH 7.5, 100 mM KCl, 10 mM MgCl2; Crystallization Buffer: Molecular Dimensions Morpheus screen: 0.1 M Buffer System 1, pH 6.5, 30% Precipitant Mix 1, 0.1 M Carboxylic acids |