457D
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATTCGCG): N6-METHOXYADENOSINE/ THYMIDINE BASE-PAIRS IN B-DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.900, 39.500, 66.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 2.000 |
| R-factor | 0.238 |
| Rwork | 0.232 |
| R-free | 0.28500 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.600 * |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.199 |
| Number of reflections | 4036 | |
| Completeness [%] | 84.8 | 70.9 |
| Redundancy | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | Chatake, T., (1999) J. Mol. Biol., 294, 1215. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | SODIUM CACODYLATE | ||
| 3 | 1 | 1 | MAGNESIUM ACETATE | ||
| 4 | 1 | 1 | NACL | ||
| 5 | 1 | 1 | SPERMINE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 1.5 (mM) | |
| 2 | 1 | reservoir | MPD | 35 (%(v/v)) | |
| 3 | 1 | reservoir | magnesium acetate | 18 (mM) | |
| 4 | 1 | reservoir | spermine tetrahydrochloride | 6 (mM) | |
| 5 | 1 | reservoir | sodium cacodylate | 10 (mM) |
