7YGO
DNA duplex containing 5OHU-Hg(II)-T base pairs
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-21 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.00910 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 37.336, 37.336, 54.938 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.866 - 2.403 |
R-factor | 0.2078 |
Rwork | 0.204 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.939 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.866 | 27.866 | 2.470 |
High resolution limit [Å] | 2.400 | 10.480 | 2.400 |
Rmerge | 0.036 | 0.031 | 0.304 |
Rmeas | 0.038 | 0.033 | 0.323 |
Total number of observations | 33557 | ||
Number of reflections | 3345 | 37 | 273 |
<I/σ(I)> | 30.95 | 62.14 | 4.7 |
Completeness [%] | 99.8 | 92.5 | 98.9 |
Redundancy | 10.032 | 10.378 | 8.886 |
CC(1/2) | 0.999 | 0.999 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | MPD, spermine, potassium nitrate, MOPS |