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 |