3D2V
Structure of the eukaryotic TPP-specific riboswitch bound to the antibacterial compound pyrithiamine pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 74.790, 110.780, 55.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.000 |
R-factor | 0.226 |
Rwork | 0.207 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cky |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.048 | 0.407 |
Number of reflections | 33092 | |
<I/σ(I)> | 33.5 | 5.87 |
Completeness [%] | 98.8 | 92.7 |
Redundancy | 7.1 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 12-18% 1,6-hexanediol, 0.5 mM spermine, 10 mM magnesium sulfate, 40 mM sodium cacodylate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | 1,6-hexanediol | ||
2 | 1 | 2 | 1,6-hexanediol | ||
3 | 1 | 1 | spermine | ||
4 | 1 | 1 | magnesium sulfate | ||
5 | 1 | 2 | magnesium sulfate | ||
6 | 1 | 1 | sodium cacodylate | ||
7 | 1 | 2 | sodium cacodylate |