461D
A "HYDRAT-ION SPINE" IN A B-DNA MINOR GROOVE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-17 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.070, 39.720, 65.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.186 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.017 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.084 | 0.094 |
| Number of reflections | 10813 | |
| Completeness [%] | 98.8 | 96.1 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 295 | SITTING DROPLETS CONTAINING 1.2 MM OLIGONUCLEOTIDE, 20 MM RB CACODYLATE PH 6.9, 6.2 MM MAGNESIUM ACETATE, 3.2 MM SPERMINE TETRACHLORIDE AGAINST RESERVOIR OF 40% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | RB CACODYLATE | ||
| 2 | 1 | 1 | MAGNESIUM ACETATE | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 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 | reservoir | 6.2 (mM) | ||
| 3 | 1 | reservoir | MPD | 40 (%) | |
| 4 | 1 | reservoir | rubidium cacodylate | 20 (mM) |
