6QT2
Radiation damage study on a 16mer DNA segment, structure at 6.2 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 | 36.864, 36.864, 162.063 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.340 - 1.800 |
R-factor | 0.2227 |
Rwork | 0.220 |
R-free | 0.28190 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6qt1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.764 |
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] | 31.340 | 31.320 | 1.850 |
High resolution limit [Å] | 1.800 | 7.850 | 1.800 |
Rmerge | 0.056 | 0.031 | 1.044 |
Rmeas | 0.068 | 0.037 | 1.288 |
Rpim | 0.038 | 0.020 | 0.739 |
Number of reflections | 3879 | 64 | 193 |
<I/σ(I)> | 8.7 | ||
Completeness [%] | 92.5 | 96.7 | 60 |
Redundancy | 3 | 2.5 | 2.5 |
CC(1/2) | 0.996 | 0.998 | 0.318 |
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. |