3GX5
Crystal structure of T. tencongensis SAM-I riboswitch variant A94G/U34 bound with SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.710, 62.710, 158.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.835 - 2.402 |
| R-factor | 0.2084 |
| Rwork | 0.202 |
| R-free | 0.26260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gis |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.503 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.051 | 0.548 |
| Number of reflections | 12862 | |
| <I/σ(I)> | 20.7 | 2.4 |
| Completeness [%] | 98.3 | 87.4 |
| Redundancy | 16.4 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 303 | 20 mM magnesium chloride, 80 mM potassium chloride, 16 mM spermine-HCl, 8% MPD, 40 mM cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | magnesium chloride | ||
| 10 | 1 | 2 | cacodylate | ||
| 2 | 1 | 1 | potassium chloride | ||
| 3 | 1 | 1 | spermine-HCl | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | cacodylate | ||
| 6 | 1 | 2 | magnesium chloride | ||
| 7 | 1 | 2 | potassium chloride | ||
| 8 | 1 | 2 | spermine-HCl | ||
| 9 | 1 | 2 | MPD |
