1ET4
CRYSTAL STRUCTURE OF A VITAMIN B12 BINDING RNA APTAMER WITH LIGAND AT 2.3 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 91.270, 98.080, 217.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 220.000 * - 2.300 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.23200 |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | |
| High resolution limit [Å] | 2.300 | |
| Rmerge | 0.095 | 0.311 * |
| Number of reflections | 39042 | |
| Completeness [%] | 89.2 * | 57.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 6.9 M LICL, 8.0 % ISOPROPANOL, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ISOPROPANOL | ||
| 2 | 1 | 1 | LICL | ||
| 3 | 1 | 2 | ISOPROPANOL | ||
| 4 | 1 | 2 | LICL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 6.5-6.9 (M) | ||
| 2 | 1 | reservoir | isopropanol | 6-8 (%) | |
| 3 | 1 | drop | isopropanol | 15 (%) | |
| 4 | 1 | drop | 2.5-5 (mM) |
