403D
5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-08-27 |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.759, 41.084, 64.307 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.400 |
| R-factor | 0.242 |
| Rwork | 0.245 |
| R-free | 0.31600 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.031 |
| Data reduction software | bioteX |
| Data scaling software | bioteX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 1.400 |
| Rmerge | 0.053 |
| Number of reflections | 11253 |
| Completeness [%] | 80.3 |
| Redundancy | 3.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 6.5 | 4 * | pH 6.50, VAPOR DIFFUSION |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | SODIUM CACODYLATE | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA duplex | 0.4 (mM) | ||
| 2 | 1 | Hoechst 33342 | 0.4 (mM) | ||
| 3 | 1 | sodium cacodylate | 40 (mM) | ||
| 5 | 1 | 1 | spermine tetrachloride | 1.5 (mM) | |
| 6 | 1 | 1 | 15 (%) | ||
| 7 | 1 | 2 | MPD | 40 (%) |
