4U92
Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-13 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 4 |
| Unit cell lengths | 29.621, 29.621, 63.737 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.800 - 1.500 |
| R-factor | 0.13002 |
| Rwork | 0.129 |
| R-free | 0.14423 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.720 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.500 |
| Number of reflections | 8348 |
| <I/σ(I)> | 44.25 |
| Completeness [%] | 99.1 |
| Redundancy | 14.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 296 | Magnesium chloride hexahydrate, Barium chloride dihydrate, MOPS pH 7.0, 1,4-Dioxane |
