3FA1
Crystal Structure of Tellurium 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 | 2008-04-12 |
| Detector | ADSC Q210 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.695, 42.695, 24.213 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.890 - 1.500 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.21500 |
| Starting model (for MR) | 1dns |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.694 |
| Data reduction software | HKL-2000 |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 18.890 | 18.890 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.075 | 0.052 | 0.427 |
| Total number of observations | 3558 | 1469 | |
| Number of reflections | 3659 | ||
| <I/σ(I)> | 14.9 | 54.2 | 2.4 |
| Completeness [%] | 94.4 | 93.6 | 74.9 |
| Redundancy | 8.63 | 8.37 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | MPD,sodium cacodylate,spermine tetra-HCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | Sodium cacodylate | ||
| 3 | 1 | Spermine tetra-HCl | |||
| 4 | 1 | 2 | MPD | ||
| 5 | 1 | 2 | Sodium cacodylate |
