6E81
Crystal structure of the Corn aptamer in complex with ThT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 131.404, 131.404, 40.632 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.266 - 2.721 |
| R-factor | 0.2494 |
| Rwork | 0.248 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bjp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.224 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.260 | 66.260 | 2.790 |
| High resolution limit [Å] | 2.720 | 12.170 | 2.720 |
| Rmerge | 0.068 | 0.023 | |
| Rmeas | 0.069 | 0.023 | |
| Rpim | 0.011 | 0.004 | 1.277 |
| Total number of observations | 144541 | ||
| Number of reflections | 3756 | 51 | 275 |
| <I/σ(I)> | 25.1 | ||
| Completeness [%] | 99.4 | 99.2 | 98.8 |
| Redundancy | 38.5 | 34.9 | 40.8 |
| CC(1/2) | 1.000 | 1.000 | 0.345 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 20% PEG 4000, 5% PEG400, 0.2M ammonium acetate pH 6.7, 0.1 M sodium citrate pH 5.6 |
