6IYQ
Crystal structure of a DNA duplex cross-linked by 6-thioguanine-6-thioguanine disulfides
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.91942 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 45.254, 46.522, 76.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.690 - 2.010 |
R-factor | 0.2506 |
Rwork | 0.247 |
R-free | 0.28190 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.387 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.690 | 39.690 | 2.060 |
High resolution limit [Å] | 2.007 | 8.980 | 2.010 |
Rmerge | 0.044 | 0.035 | 0.287 |
Rmeas | 0.048 | 0.039 | 0.312 |
Number of reflections | 5619 | 77 | 400 |
<I/σ(I)> | 19.23 | 31.96 | 5.24 |
Completeness [%] | 99.8 | 95.1 | 98.8 |
Redundancy | 6.226 | 5.091 | 6.65 |
CC(1/2) | 0.999 | 0.998 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | MOPS (pH 7), spermine, ammonium nitrate, 2-methyl-2,4-pentanediol |