8D5O
Crystal structure of theophylline aptamer in complex with TAL4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 23.081, 29.535, 79.975 |
Unit cell angles | 84.72, 90.03, 70.65 |
Refinement procedure
Resolution | 39.800 - 2.700 |
R-factor | 0.2413 |
Rwork | 0.238 |
R-free | 0.27220 |
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] | 39.960 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.044 | |
Rmeas | 0.052 | |
Rpim | 0.027 | |
Number of reflections | 4549 | 365 |
<I/σ(I)> | 18.13 | |
Completeness [%] | 86.9 | |
Redundancy | 3.3 | |
CC(1/2) | 0.998 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | sodium cacodylate, PEG 8000, 2-methyl-2,4-pentanediol |