3R86
Crystal structure of d(CCGGTACCGG)2 as B-DNA duplex grown with 5 mM CoCl2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.604 |
| Spacegroup name | P 61 |
| Unit cell lengths | 32.756, 32.756, 93.648 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.370 - 2.800 |
| R-factor | 0.27561 |
| Rwork | 0.260 |
| R-free | 0.27001 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | B-DNA fiber model |
| RMSD bond length | 0.029 |
| RMSD bond angle | 3.900 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.400 | 2.873 |
| High resolution limit [Å] | 2.800 | 2.803 |
| Rmerge | 0.051 | 0.390 |
| Number of reflections | 1382 | |
| <I/σ(I)> | 3.7 | 1.4 |
| Completeness [%] | 98.0 | 99 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1mM DNA, 50mM Sodium Cacodylate buffer, 5mM CoCl2,1mM Spermine, 50% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
