6VUH
APO PreQ1 riboswitch aptamer grown in Mn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.954 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 115.422, 115.422, 57.682 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.781 - 1.999 |
R-factor | 0.1934 |
Rwork | 0.190 |
R-free | 0.22520 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3q51 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.307 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.781 | 2.050 |
High resolution limit [Å] | 1.999 | 1.999 |
Rmerge | 0.057 | 1.534 |
Rpim | 0.022 | 0.587 |
Number of reflections | 28736 | 1045 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 99.0 | 99.2 |
Redundancy | 8 | 7.6 |
CC(1/2) | 0.994 | 0.626 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50 mM Na-cacodylate pH 7.0, 150 mM KCl, 19% PEG-MME 2000, 5 mM MnCl2, 2 mM Spermidine-HCl |