1P4Z
Effect of Sequence on the Conformational Geometry of DNA Holliday Junctions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2002-07-18 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 33.380, 33.380, 87.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 2.000 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED RESULTS OF STRUCTURE WITH ISOMORPHOUS UNIT CELL DIMENSIONS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.750 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.048 * | 0.124 |
| Total number of observations | 32690 * | |
| Number of reflections | 2143 | |
| <I/σ(I)> | 2.38 | |
| Completeness [%] | 94.6 * | 53.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 20 * | 0.6mM DNA, 5mM TRIS(HCl), 25mM Ca-Acetate, 7% MPD, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.50 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | TRIS(HCl) | ||
| 2 | 1 | 1 | Ca-Acetate | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | Ca-Acetate | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | TRIS(HCl) | ||
| 8 | 1 | 2 | H2O |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.6 (mM) | |
| 2 | 1 | drop | Tris-HCl | 5 (mM) | pH7.5 |
| 3 | 1 | drop | calcium acetate | 25 (mM) | |
| 4 | 1 | drop | MPD | 7 (%) | |
| 5 | 1 | reservoir | MPD | 30 (%) |
