2NSK
Doubled Modified Selenium DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1000, 0.9796, 0.9798, 0.9400 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.305, 42.305, 23.837 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.820 - 1.500 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21200 |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 | 0.272 |
| Number of reflections | 3718 | |
| <I/σ(I)> | 14.7 | 5.6 |
| Completeness [%] | 98.3 | 100 |
| Redundancy | 12.7 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% MPD, 40mM NaCacodylate pH 7.0 , 12 mMSpermine tetra-HCI, and 80 mM Soldium Chloride., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | NaCacodylate | ||
| 3 | 1 | 1 | Spermine tetra-HCI | ||
| 4 | 1 | 1 | Soldium Chloride | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | NaCacodylate | ||
| 8 | 1 | 2 | Soldium Chloride | ||
| 9 | 1 | 2 | H2O |
