3GX6
Crystal structure of the T. tengcongensis SAM-I riboswitch variant U34C/A94G bound with SAM in manganese chloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.390, 62.390, 157.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.473 - 2.800 |
| R-factor | 0.2664 |
| Rwork | 0.260 |
| R-free | 0.32720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gis |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.880 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.092 | 0.387 |
| Number of reflections | 7215 | |
| <I/σ(I)> | 9.5 | 3.3 |
| Completeness [%] | 87.9 | 91.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 303 | 10 mM manganese chloride, 80 mM potassium chloride, 12 mM spermine-HCl, 40 mM cacodylate, 10% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | manganese chloride | ||
| 10 | 1 | 2 | MPD | ||
| 2 | 1 | 1 | potassium chloride | ||
| 3 | 1 | 1 | spermine-HCl | ||
| 4 | 1 | 1 | cacodylate | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | manganese chloride | ||
| 7 | 1 | 2 | potassium chloride | ||
| 8 | 1 | 2 | spermine-HCl | ||
| 9 | 1 | 2 | cacodylate |
