3GX2
TteSAM-I riboswitch variant A94GU34C bound to sinefungin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.614, 62.614, 158.395 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.410 - 2.900 |
| R-factor | 0.2283 |
| Rwork | 0.222 |
| R-free | 0.28760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gis |
| RMSD bond length | 0.003 |
| RMSD bond angle | 2.170 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.059 | 0.369 |
| Number of reflections | 7451 | |
| <I/σ(I)> | 15.7 | 3.7 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5.64 | 5.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 303 | 30 mM magnesium chloride, 60 mM potassium chloride, 12 mM spermine-HCl, 10% 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 |
