3IFF
2'-SeMe-A modified DNA decamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 61 |
| Unit cell lengths | 38.748, 38.748, 76.628 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.20609 |
| Rwork | 0.202 |
| R-free | 0.27831 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 395d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.964 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.780 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.048 | 0.390 |
| Number of reflections | 7686 | |
| <I/σ(I)> | 31.64 | 2.94 |
| Completeness [%] | 96.9 | 95.1 |
| Redundancy | 7.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% v / v MPD, 40 mM Na Cacodylate pH 7.0, 12 mM Spermine tetra-HCl, 40 mM Lithium Chloride, 80 mM Strontium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 310K, temperature 293K |
