8TA9
Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 32 |
Unit cell lengths | 68.395, 68.395, 58.132 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.520 - 2.800 |
R-factor | 0.19491 |
Rwork | 0.192 |
R-free | 0.24397 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 2.329 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.118 | 0.126 | 1.088 |
Rmeas | 0.124 | 0.133 | 1.156 |
Rpim | 0.038 | 0.041 | 0.382 |
Number of reflections | 7272 | 372 | 279 |
<I/σ(I)> | 6.9 | ||
Completeness [%] | 97.2 | 100 | 76.9 |
Redundancy | 9.7 | 10.4 | 7.8 |
CC(1/2) | 1.000 | 0.994 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.5 mL of 0.05 M Na cacodylate pH 6.5 with 1.0 mM spermine, 2.0 mM CoH18N6, 30 mM CaCl2, and 2.0 M LiCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock. |