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 |