8W7W
Crystal structure of d(CGTATACG)2 with acridine complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-11-22 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.146, 72.095, 24.127 |
| Unit cell angles | 90.00, 92.67, 90.00 |
Refinement procedure
| Resolution | 24.120 - 1.580 |
| R-factor | 0.2193 |
| Rwork | 0.218 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.263 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 3.400 | 1.580 |
| Rmerge | 0.015 | 0.169 | |
| Rmeas | 0.018 | 0.199 | |
| Rpim | 0.010 | 0.104 | |
| Number of reflections | 11068 | 1021 | 1032 |
| <I/σ(I)> | 29.2 | ||
| Completeness [%] | 96.4 | 86.8 | 91 |
| Redundancy | 3.6 | 3.4 | 3.6 |
| CC(1/2) | 0.999 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.3mM oligonucleotides, 0.3mM ligand, 25mM bis-tris (pH 7.0), 50mM sodium chloride, 10mM magnesium chloride hexahydrate, 15% (v/v) 2-methyl-2,4-pentanediol |
