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 |