7EDW
DNA duplex containing T-T base pairs in complex with Au(III)
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 | 2018-03-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03932 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.076, 42.800, 67.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.020 - 2.000 |
R-factor | 0.1671 |
Rwork | 0.165 |
R-free | 0.18650 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AutoSol |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.020 | 28.020 | 2.050 |
High resolution limit [Å] | 2.000 | 8.950 | 2.000 |
Rmerge | 0.039 | 0.035 | 0.312 |
Rmeas | 0.047 | 0.042 | 0.389 |
Total number of observations | 31469 | ||
Number of reflections | 12947 | 133 | 975 |
<I/σ(I)> | 14.63 | 33.04 | 3.6 |
Completeness [%] | 92.5 | 85.3 | 92.4 |
Redundancy | 2.431 | 2.684 | 2.317 |
CC(1/2) | 0.998 | 0.997 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium cacodylate, MPD, spermine tetrahydrochloride, gold chloride |