3HGD
Crystal Structure of 2-Se-Thymidine Derivatized DNA
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-07 |
| Detector | ADSC Q210 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 61 |
| Unit cell lengths | 45.828, 45.828, 42.501 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.570 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.570 | 3.400 | 1.570 |
| Rmerge | 0.091 | 0.071 | 0.607 |
| Number of reflections | 6839 | ||
| <I/σ(I)> | 21.159 | ||
| Completeness [%] | 95.1 | 94.8 | 74.9 |
| Redundancy | 17 | 16.8 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | MPD,sodium cacodylate,spermine tetra-HCl, vapor diffusion, hanging drop, temperature 298K |
