3IXN
Crystal structure of d(CCGGTACCGG) as B-DNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 |
| Unit cell lengths | 32.940, 32.940, 94.854 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.530 - 2.870 |
| R-factor | 0.26212 |
| Rwork | 0.261 |
| R-free | 0.27469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Fiber model built in INSIGHTII software |
| RMSD bond length | 0.025 |
| RMSD bond angle | 3.964 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.970 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.094 | 0.286 |
| Number of reflections | 1365 | |
| <I/σ(I)> | 6.2 | 1.2 |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 10.1 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 5mM CoCl2, 1mM spermine, 50% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
