8D2A
Crystal structure of theophylline aptamer in complex with TAL3
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 | 2021-01-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97648 |
Spacegroup name | P 1 |
Unit cell lengths | 23.075, 29.662, 80.291 |
Unit cell angles | 95.39, 89.99, 109.01 |
Refinement procedure
Resolution | 27.910 - 2.170 |
R-factor | 0.1902 |
Rwork | 0.187 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o15 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.910 | 2.248 |
High resolution limit [Å] | 2.170 | 2.170 |
Number of reflections | 9761 | 911 |
<I/σ(I)> | 8.78 | |
Completeness [%] | 91.5 | |
Redundancy | 2 | |
CC(1/2) | 0.997 | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | sodium cacodylate, PEG 8000, 2-methyl-2,4-pentanediol |