2HC7
2'-selenium-T A-DNA [G(TSe)GTACAC]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.221, 42.221, 24.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.720 - 1.400 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z7i |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.036 | 0.343 |
| Number of reflections | 4577 | |
| <I/σ(I)> | 13.1 | 2.1 |
| Completeness [%] | 98.8 | 92.3 |
| Redundancy | 12.7 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10% MPD, 40 mM Na Cacodylate, 12 mM Sperimine tetra-HCI, 80 mM Sodium Chloride and 20 mM Magnesium Chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | Magnesium Chloride | ||
| 2 | 1 | 1 | Na Cacodylate | ||
| 3 | 1 | 1 | Sperimine tetra-HCI | ||
| 4 | 1 | 1 | Sodium Chloride | ||
| 5 | 1 | 1 | Magnesium Chloride | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | Na Cacodylate | ||
| 9 | 1 | 2 | Sodium Chloride |
