8TB4
Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5)
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 | 69.507, 69.507, 59.552 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.370 - 3.110 |
R-factor | 0.19728 |
Rwork | 0.195 |
R-free | 0.23789 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 2.066 |
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 | 3.150 |
High resolution limit [Å] | 3.100 | 8.400 | 3.100 |
Rmerge | 0.129 | 0.132 | 1.629 |
Rmeas | 0.136 | 0.139 | 1.755 |
Rpim | 0.042 | 0.043 | 0.627 |
Number of reflections | 5774 | 290 | 291 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 99.7 | 100 | 97.3 |
Redundancy | 9.7 | 10.4 | 6.7 |
CC(1/2) | 1.000 | 0.984 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.5 mL of 0.05 M HEPES pH 7.5 with 15 mM MgCl2, 1.0 mM spermidine, and 10% dioxan was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock. |