2GDI
Crystal structure of thiamine pyrophosphate-specific riboswitch in complex with thiamine pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.819, 29.558, 95.170 |
Unit cell angles | 90.00, 94.55, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.24100 |
Structure solution method | MAD |
RMSD bond length | 0.003 |
RMSD bond angle | 1.043 |
Data reduction software | CAD4 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.062 | 0.475 |
Number of reflections | 27007 | |
<I/σ(I)> | 2.89 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.9 | 293 | 28 % PEG4000, 100 mM Na-acetate, pH 4.8, and 200 mM NH4-acetate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.90 | |
1 | 6.9 | 293 | 28 % PEG4000, 100 mM Na-acetate, pH 4.8, and 200 mM NH4-acetate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.90 | |
1 | 6.9 | 293 | 28 % PEG4000, 100 mM Na-acetate, pH 4.8, and 200 mM NH4-acetate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.90 |