8FB4
Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
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 | 2022-09-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 38.730, 38.730, 160.394 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.410 - 1.490 |
| R-factor | 0.2609 |
| Rwork | 0.258 |
| R-free | 0.29470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.531 |
| 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] | 28.410 | 1.544 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.011 | 0.143 |
| Rmeas | 0.015 | 0.202 |
| Rpim | 0.011 | 0.143 |
| Number of reflections | 23742 | 2299 |
| <I/σ(I)> | 24.7 | 5.06 |
| Completeness [%] | 99.2 | 99.01 |
| Redundancy | 2 | 2 |
| CC(1/2) | 1.000 | 0.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 288 | 1 mM DNA duplex with 3 mM DB1976 annealed in 7.5 mM HEPES, pH=6.6 mixed at a 1:1 ratio with well solution containing 10 mM HEPES, pH=8.6, 600 mM CaCl2, 38% PEG200 |
