1PUY
1.5 A resolution structure of a synthetic DNA hairpin with a stilbenediether linker
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-05-01 |
| Detector | APS-1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 29.890, 41.860, 51.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.500 |
| R-factor | 0.206 |
| Rwork | 0.204 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.980 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 * | |
| High resolution limit [Å] | 1.500 | 1.500 * |
| Rmerge | 0.045 * | |
| Number of reflections | 9590 * | 637 * |
| Completeness [%] | 93.9 | |
| Redundancy | 6.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * | 298 | MPD, magnesium chloride, cacodylate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.30 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | magnesium chloride | ||
| 3 | 1 | 1 | cacodylate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | magnesium chloride | ||
| 7 | 1 | 2 | H2O |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 1 (mM) | Sd2-linked |
| 2 | 1 | drop | 40 (mM) | ||
| 3 | 1 | drop | MPD | 8 (%) | |
| 4 | 1 | drop | sodium cacodylate | 40 (mM) | pH6. |
| 5 | 1 | reservoir | 40 (%) |
