3IKI
5-SMe-dU containing DNA octamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2008-10-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 42.882, 42.882, 23.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.320 - 1.380 |
| Rwork | 0.178 |
| R-free | 0.19414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dns |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.467 |
| 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 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.057 | 0.245 |
| Number of reflections | 4616 | |
| <I/σ(I)> | 23.02 | 5.86 |
| Completeness [%] | 94.0 | 67.8 |
| Redundancy | 8.4 | 5.2 |
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 / 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
