1D9R
CRYSTAL STRUCTURE OF DNA SHEARED TANDEM G-A BASE PAIRS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 123 |
| Detector technology | CCD |
| Collection date | 1998-08-16 |
| Detector | CUSTOM-MADE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 22.711, 67.216, 72.504 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| R-factor | 0.234 |
| Rwork | 0.234 |
| R-free | 0.27800 |
| Structure solution method | MAD PHASING BY BROMINES |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.980 * |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.560 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.055 | 0.377 |
| Number of reflections | 8923 | |
| <I/σ(I)> | 33.7 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.5 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 298 | MPD, COBALT HEXAMMINE, MGCL2, TRIS, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | [CO(NH3)6]CL3 | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 1 | TRIS | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA duplex | 1.3 (mM) | |
| 2 | 1 | drop | Tris-HCl | 2 (mM) | |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | 5 (mM) | ||
| 5 | 1 | drop | 2.6 (%) | ||
| 6 | 1 | reservoir | MPD | 40 (%) |
