1DDY
MOLECULAR RECOGNITION BY THE VITAMIN B12 RNA APTAMER
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-09-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.6047,1.6057,1.5842 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.330, 161.880, 100.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 3.000 |
R-factor | 0.207 * |
Rwork | 0.204 |
R-free | 0.24800 * |
Structure solution method | MAD PHASING |
RMSD bond length | 0.021 * |
RMSD bond angle | 1.310 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 40156 | |
<I/σ(I)> | 13.7 | 4.469 |
Completeness [%] | 92.0 | 80 |
Redundancy | 3.85 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 289 | Sussman, D., (1999) Acta Cryst., D55, 326. * |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | LICL | ||
2 | 1 | 1 | MGCL2 | ||
3 | 1 | 1 | ISOPROPANOL | ||
4 | 1 | 2 | ISOPROPANOL |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 2-propanol | 7 (%) | |
2 | 1 | reservoir | 15 (mM) | ||
3 | 1 | reservoir | K-PIPES | 20 (mM) | |
4 | 1 | reservoir | 0.5 (mM) |