3GX3
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.427, 62.427, 158.221 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.741 - 2.700 |
| R-factor | 0.237 |
| Rwork | 0.231 |
| R-free | 0.29070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gis |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.600 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.075 | 0.369 |
| Number of reflections | 8993 | |
| <I/σ(I)> | 15.7 | 4.6 |
| Completeness [%] | 98.3 | 97.6 |
| Redundancy | 6.74 | 7.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 20 mM magnesium chloride, 80 mM potassium chloride, 12 mM spermine, 10% MPD, 40 mM cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP |
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 | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | cacodylate | ||
| 6 | 1 | 2 | magnesium chloride | ||
| 7 | 1 | 2 | potassium chloride | ||
| 8 | 1 | 2 | spermine | ||
| 9 | 1 | 2 | MPD |
