6QT5
Radiation damage study on a 16mer DNA segment, structure at 63.7 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 | 36.931, 36.931, 162.485 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.400 - 1.800 |
R-factor | 0.2523 |
Rwork | 0.248 |
R-free | 0.34500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6qt1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.567 |
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] | 31.400 | 31.380 | 1.850 |
High resolution limit [Å] | 1.800 | 7.840 | 1.800 |
Rmerge | 0.104 | 0.042 | 13.527 |
Rmeas | 0.127 | 0.052 | 16.635 |
Rpim | 0.072 | 0.030 | 9.499 |
Number of reflections | 3912 | 63 | 195 |
<I/σ(I)> | 2.6 | ||
Completeness [%] | 92.2 | 95.3 | 57.5 |
Redundancy | 2.9 | 2.6 | 2.6 |
CC(1/2) | 0.992 | 0.995 | 0.190 |
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. |