4R4A
Racemic crystal structure of a cobalt-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 | 26.286, 32.352, 33.500 |
Unit cell angles | 62.25, 73.14, 68.56 |
Refinement procedure
Resolution | 29.330 - 1.490 |
R-factor | 0.21008 |
Rwork | 0.209 |
R-free | 0.23257 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r86 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.847 |
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] | 29.330 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.048 | |
Number of reflections | 14025 | |
<I/σ(I)> | 10.81 | |
Completeness [%] | 95.4 | 89.57 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.5 mM L,D-CCGGTACCGG, 75 mM sodium cacodylate, 10 mM cobalt chloride, 1 mM spermine, 40% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |