6E82
Crystal structure of the Corn aptamer mutant A14U in complex with ThT
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 | PIXEL |
| Collection date | 2018-05-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 130.723, 130.723, 40.674 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.031 - 3.101 |
| R-factor | 0.2475 |
| Rwork | 0.238 |
| R-free | 0.32980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bjp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.688 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.740 | 37.740 | 3.040 |
| High resolution limit [Å] | 2.960 | 13.240 | 2.960 |
| Rmerge | 0.137 | 0.018 | 1.062 |
| Rmeas | 0.141 | 0.018 | 1.091 |
| Rpim | 0.032 | 0.005 | 0.246 |
| Total number of observations | 53903 | ||
| Number of reflections | 2840 | 36 | 198 |
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 99.9 | 96 | 100 |
| Redundancy | 19 | 15.5 | 19.1 |
| CC(1/2) | 1.000 | 1.000 | 0.516 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 20 % PEG 4000, 5% PEG 400, 10% glycerol, 0.2 M ammonium acetate pH 6.7, 0.1 M sodium citrate pH 5.6, 0.5 mM ThT |
