8EDA
An alternating AT dodecamer benzimidazole (DB1476) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.743, 39.895, 66.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.210 - 1.630 |
| R-factor | 0.1847 |
| Rwork | 0.183 |
| R-free | 0.20140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bna |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.402 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.210 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 8949 | 840 |
| <I/σ(I)> | 21.7 | |
| Completeness [%] | 99.2 | |
| Redundancy | 1.2 | |
| CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | MPD, SODIUM CACODYLATE TRIHYDRATE, SPERMINE TETRACHLORIDE, SODIUM CHLORIDE, MAGNESIUM CHLORIDE HEXAHYDRATE |
