8T7X
Sequence specific (AATT) orientation of DAPI molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 32 |
Unit cell lengths | 68.479, 68.479, 60.082 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.210 - 3.070 |
R-factor | 0.1982 |
Rwork | 0.197 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.088 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.100 |
High resolution limit [Å] | 3.050 | 8.270 | 3.050 |
Rmerge | 0.089 | 0.076 | 0.863 |
Rmeas | 0.094 | 0.080 | 0.915 |
Rpim | 0.030 | 0.026 | 0.299 |
Total number of observations | 58825 | ||
Number of reflections | 5900 | 291 | 323 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 10 | 10.1 | 9.2 |
CC(1/2) | 0.912 | 0.987 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.5 mL of 0.05 M Cacodylate pH 6.0 with 18 mM MgCl2, 2.25 mM spermine, 1 mM CuSO4, and 9% Isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock. |