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 |