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) |
