3D2G
Structural basis of thiamine pyrophosphate analogues binding to the eukaryotic riboswitch
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 | 2006-05-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.048, 111.022, 55.733 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.250 |
R-factor | 0.235 |
Rwork | 0.209 |
R-free | 0.25680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cky |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.075 | 0.972 |
Number of reflections | 22992 | |
<I/σ(I)> | 23.45 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 12-18% 1,6-hexanediol, 0.5mM spermine, 10mM magnesium sulfate, 40mM 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 |