4J2I
Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.91986 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.400, 27.945, 159.715 |
| Unit cell angles | 90.00, 103.10, 90.00 |
Refinement procedure
| Resolution | 26.500 - 2.980 |
| R-factor | 0.27031 |
| Rwork | 0.270 |
| R-free | 0.28729 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0024) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 3.140 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.138 | 0.216 |
| Number of reflections | 6641 | |
| <I/σ(I)> | 5.9 | 2.4 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 286 | Ni, Spermine, Sodium cacodilate, 36% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
