458D
DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG BY A NON-SELF-COMPLEMENTARY AT-RICH SEQUENCE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 288 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.190, 40.580, 66.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-free | 0.30300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.200 |
| Rmerge | 0.067 |
| Number of reflections | 3508 |
| Completeness [%] | 94.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 13 * | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 75 (mM) | ||
| 2 | 1 | drop | spermine | 15 (mM) | |
| 3 | 1 | drop | duplex | 3 (mM) | |
| 4 | 1 | drop | MPD | 25 (%(w/v)) | |
| 5 | 1 | drop | sodium cacodylate | 40 (mM) | |
| 6 | 1 | reservoir | MPD | 35 (%(w/v)) |
