5SWD
Structure of the adenine riboswitch aptamer domain in an intermediate-bound state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2016-06-14 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.3 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.910, 46.720, 92.250 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 30.920 - 2.500 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e54 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.524 |
| Data reduction software | CrystFEL (0.6.2) |
| Data scaling software | CrystFEL (0.6.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.060 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 14357 | |
| <I/σ(I)> | 3.49 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 346.8 | 188.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.5 | 295 | 40 mM sodium cacodylate, pH 6.5, 80 mM potassium chloride, 100 mM magnesium chloride, 12 mM spermine tetrahydrochloride, 65% v/v (+/-)-2-methyl-2,4-pentanediol |
