5GSK
Crystal structure of duplex DNA3 in complex with Hg(II) and Sr(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97928 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 40.318, 40.318, 24.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.800 - 1.050 |
| R-factor | 0.14374 |
| Rwork | 0.140 |
| R-free | 0.15577 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.839 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 1.050 |
| Number of reflections | 9769 |
| <I/σ(I)> | 16.8 |
| Completeness [%] | 96.4 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% v/v MPD, 40 mM Sodium cacodylate, 12 mM Spermine tetra-HCl, 40 mM LiCl, 80 mM SrCl2 |
