8DK7
Crystal structure of theophylline aptamer soaked with TAL2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97648 |
Spacegroup name | P 1 |
Unit cell lengths | 38.392, 90.115, 93.751 |
Unit cell angles | 83.53, 89.40, 84.57 |
Refinement procedure
Resolution | 89.140 - 2.460 |
R-factor | 0.2475 |
Rwork | 0.246 |
R-free | 0.26950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b14 |
RMSD bond length | 0.024 |
RMSD bond angle | 1.099 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.150 | 2.550 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.050 | 0.434 |
Number of reflections | 41522 | 4391 |
<I/σ(I)> | 15.53 | |
Completeness [%] | 92.1 | 96.35 |
Redundancy | 3.7 | 3.2 |
CC(1/2) | 0.999 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | PEG 3350, citrate, bis-Tris propane |