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 |
