1DOU
MONOVALENT CATIONS SEQUESTER WITHIN THE A-TRACT MINOR GROOVE OF [D(CGCGAATTCGCG)]2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER |
| Temperature [K] | 163 |
| Detector technology | CCD |
| Collection date | 1999-01-15 |
| Detector | BRUKER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.296, 40.243, 65.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.820 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.26700 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.038 |
| Data reduction software | SMART ((BRUKER)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.930 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 8665 | |
| Completeness [%] | 52 | |
| Redundancy | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 * | 298 | Tereshko, V., (1999) J. Am. Chem. Soc., 121, 470. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CESIUM CACODYLATE | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | MGCL2 | ||
| 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 | 1.2 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 20 (mM) | |
| 3 | 1 | drop | 25 (mM) | ||
| 4 | 1 | drop | spermine 4HCl | 3 (mM) | |
| 5 | 1 | reservoir | 40 (%) |
