8FDQ
An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-07 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.380, 38.980, 60.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.970 - 1.540 |
R-factor | 0.2082 |
Rwork | 0.204 |
R-free | 0.24220 |
Structure solution method | MOLECULAR REPLACEMENT |
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] | 23.970 | 1.595 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.017 | |
Number of reflections | 8995 | 879 |
<I/σ(I)> | 14.06 | |
Completeness [%] | 99.3 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.931 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | MPD, SODIUM CACODYLATE TRIHYDRATE, SPERMINE TETRACHLORIDE, SODIUM CHLORIDE, MAGNESIUM HEXAHYDRATE |