8ED6
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) complex with ligand orientation II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-04-07 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.792, 40.069, 65.554 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.190 - 1.630 |
R-factor | 0.1868 |
Rwork | 0.183 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bna |
RMSD bond length | 0.011 |
RMSD bond angle | 1.445 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.200 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Number of reflections | 8886 | 807 |
<I/σ(I)> | 27.7 | |
Completeness [%] | 99.5 | |
Redundancy | 1.2 | |
CC(1/2) | 1.000 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | SODIUM CACODYLATE TRIHYDRATE, SPERMINE TETRAHYDRATE, MAGNESIUM CHLORIDE HEXAHYDRATE, MPD |