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 |
