3IFI
2'-SeMe-dG modified octamer DNA
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 | 2009-03-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 41.641, 41.641, 24.112 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.450 - 1.200 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dns |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.144 |
| 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] | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.065 | 0.320 |
| Number of reflections | 6376 | |
| <I/σ(I)> | 52.8 | 4.16 |
| Completeness [%] | 90.2 | 47.1 |
| Redundancy | 13 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 10% v / v MPD, 40 mM Na Cacodylate pH 6.0, 12 mM Spermine tetra-HCl, 80 mM Strontium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
