12CI
Structure of dopamine-binding aptamer, DGR-1A, in complex with dopamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-24 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.033, 59.302, 67.817 |
| Unit cell angles | 90.00, 106.51, 90.00 |
Refinement procedure
| Resolution | 23.300 - 2.590 |
| R-factor | 0.2296 |
| Rwork | 0.225 |
| R-free | 0.27510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.958 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.660 | |
| Rmeas | 0.096 | 0.801 |
| Rpim | 0.052 | 0.448 |
| Number of reflections | 15514 | 756 |
| <I/σ(I)> | 18.3 | 1.79 |
| Completeness [%] | 99.2 | 98.1 |
| Redundancy | 3.3 | 3 |
| CC(1/2) | 0.945 | 0.731 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 11% v/v MPD, 8 mM hexaamine cobalt(III) chloride, 12 mM sodium chloride, 80 mM potassium chloride, 40 mM MES |
