8VOE
The DNA 16-mer sequence 5'-GCTGGATTAATCCAGC-3' bound by a DB1992 stacked dimer
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979346 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 38.116, 38.116, 162.999 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.170 - 1.770 |
| R-factor | 0.2515 |
| Rwork | 0.249 |
| R-free | 0.27060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.095 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.170 | 1.834 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.073 | 0.583 |
| Rmeas | 0.076 | 0.605 |
| Rpim | 0.021 | 0.160 |
| Number of reflections | 4763 | 476 |
| <I/σ(I)> | 19.88 | 4.86 |
| Completeness [%] | 99.3 | 98.74 |
| Redundancy | 14.1 | 14.1 |
| CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 295 | 10mM HEPES, pH=8.6, 600mM CaCl2, 42% PEG200 mixed 1:1 with 1mM DNA duplex containing 3.5 stoichiometric equivalents of DB1992 |
