5E54
Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser
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 | 2015-07-24 |
| 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 | 25.020 - 2.300 |
| R-factor | 0.2156 |
| Rwork | 0.213 |
| R-free | 0.25620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.619 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.020 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 18602 | |
| <I/σ(I)> | 4.37 | 0.27 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 461.3 | 314.6 |
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 |
