5D5L
PreQ1-II riboswitch with an engineered G-U wobble pair bound to Cs+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.17 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.358, 57.833, 99.493 |
Unit cell angles | 90.00, 107.64, 90.00 |
Refinement procedure
Resolution | 49.373 - 2.500 |
R-factor | 0.202 |
Rwork | 0.199 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jf2 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.589 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.071 | 0.054 | 0.502 |
Total number of observations | 86950 | ||
Number of reflections | 30551 | ||
<I/σ(I)> | 12.1 | ||
Completeness [%] | 92.9 | 93 | 72.7 |
Redundancy | 2.8 | 2.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 14.4% (w/v) poly(ethylene) glycol 6000, 0.130 M MgOAc2, 0.001 M spermine-HCl, 0.020 M KCl, 0.130 M CsCl and 0.050 M Na-cacodylate pH 6.0 |