8F1V
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation
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 | 2022-07-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.030, 41.458, 64.004 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.330 - 2.100 |
R-factor | 0.2823 |
Rwork | 0.277 |
R-free | 0.32510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bna |
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] | 25.330 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 4201 | 403 |
<I/σ(I)> | 9.71 | |
Completeness [%] | 99.5 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | MPD, SODIUM CACOCYLATE TRIHYDRATE, SPERMINE TETRACHLORIDE, SODIUM CHLORIDE, POTASSIUM CHLORIDE, MAGNESIUM HEXAHYDRATE |