7E9E
Crystal structure of a class I PreQ1 riboswitch aptamer (ab13-14) complexed with a cognate ligand-derived photoaffinity probe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 52.691, 52.691, 176.999 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.600 - 1.570 |
R-factor | 0.1913 |
Rwork | 0.190 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e1w |
RMSD bond length | 0.004 |
RMSD bond angle | 0.901 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.600 | 1.660 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.124 | 1.855 |
Number of reflections | 21398 | 6216 |
<I/σ(I)> | 17.17 | |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 20.5 | 19.8 |
CC(1/2) | 0.999 | 0.726 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.01M Mg acetate, 0.05M MES (pH5.6), 2.6M ammonium sulfate |