6V6R
Crystal Structure of a Bromine Derivatized Self-Assembling DNA Crystal Scaffold with Rhombohedral Symmetry.
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 | 2018-08-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.92 |
Spacegroup name | H 3 |
Unit cell lengths | 115.806, 115.806, 44.748 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.865 - 2.700 |
R-factor | 0.2435 |
Rwork | 0.242 |
R-free | 0.27860 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.753 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL2Map |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.062 | 0.049 | 0.637 |
Rmeas | 0.079 | 0.063 | 0.833 |
Rpim | 0.049 | 0.039 | 0.530 |
Number of reflections | 12116 | 594 | 555 |
<I/σ(I)> | 18.1 | ||
Completeness [%] | 98.5 | 98 | 92.5 |
Redundancy | 2.4 | 2.5 | 1.9 |
CC(1/2) | 0.930 | 0.992 | 0.621 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Crystallization conditions: 0.5 mL of 50 mM cacodylate pH 6.5 with 100 mM MgCl2, 1 mM cobalt hexamine, and 10% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock. |