6QT6
Radiation damage study on a 16mer DNA segment, structure at 29.2 MGy dose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | H 3 2 |
Unit cell lengths | 36.965, 36.965, 162.571 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.430 - 1.800 |
R-factor | 0.2749 |
Rwork | 0.270 |
R-free | 0.36930 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6qt1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.540 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.430 | 31.410 | 1.850 |
High resolution limit [Å] | 1.800 | 7.850 | 1.800 |
Rmerge | 0.136 | 0.054 | 116.648 |
Rmeas | 0.167 | 0.065 | 143.064 |
Rpim | 0.095 | 0.036 | 81.297 |
Number of reflections | 3914 | 64 | 196 |
<I/σ(I)> | 1.8 | ||
Completeness [%] | 92.3 | 95.7 | 57.7 |
Redundancy | 3 | 2.6 | 2.6 |
CC(1/2) | 0.983 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 292 | 2 microliter 1.5 mM DNA solution (5mM HEPES pH 6.6) plus 2 microliter 10 mM HEPES pH 6.6 plus 4 microliter reservoir solution, against a reservoir of 1 ml 34% PEG200, 600 mM CaCl2 and 10 mM HEPES pH 8.6 |