5FHL
Extensive amphimorphism in DNA: Three stable conformations for the decadeoxynucleotide d(GCATGCATGC)
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 | 2014-04-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 37.965, 37.965, 77.195 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.249 - 1.791 |
| R-factor | 0.2202 |
| Rwork | 0.217 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vtb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.955 |
| Data scaling software | XSCALE (Jan 10, 2014) |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.250 | 1.900 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.030 | 0.720 |
| Number of reflections | 3435 | |
| <I/σ(I)> | 41.38 | 3.2 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 13.5 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1 mM DNA, 50 mM sodium cacodylate buffer, 5 mM spermine, 40% MPD |
