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 (%) |