4R4D
Racemic crystal structure of a magnesium-bound B-DNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P -1 |
| Unit cell lengths | 31.610, 32.951, 46.250 |
| Unit cell angles | 70.76, 80.77, 73.77 |
Refinement procedure
| Resolution | 43.540 - 1.290 |
| R-factor | 0.2709 |
| Rwork | 0.269 |
| R-free | 0.31130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r86 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.298 |
| Data reduction software | XDS |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.540 | 1.370 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.023 | |
| Number of reflections | 38749 | |
| <I/σ(I)> | 14.11 | |
| Completeness [%] | 91.4 | 86.2 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1 mM DNA, 50 mM sodium cacodylate, 200 mM magnesium chloride, 2.5 mM spermine, 30% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
