8TAM
Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x6)
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 | 2021-12-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92 |
Spacegroup name | H 3 |
Unit cell lengths | 116.488, 116.488, 49.299 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.290 - 2.950 |
R-factor | 0.2217 |
Rwork | 0.221 |
R-free | 0.22970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.925 |
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 | 3.000 |
High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
Rmerge | 0.058 | 0.048 | 1.153 |
Rmeas | 0.061 | 0.051 | 1.223 |
Rpim | 0.019 | 0.015 | 0.402 |
Number of reflections | 5263 | 267 | 272 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 100.0 | 100 | 99.3 |
Redundancy | 10.1 | 10.5 | 8.7 |
CC(1/2) | 1.000 | 0.997 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.5 mL of 0.05 M TRIS pH 8.0 with 10 mM MgCl2, 1.0 mM CoH18N6, and 20% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock. |