442D
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 1997-09-27 |
| Detector | BRUKER SMART |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.560, 33.850, 61.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.600 |
| R-factor | 0.149 |
| R-free | 0.16700 * |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.017 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.657 | |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.076 | 0.252 |
| Number of reflections | 9015 * | |
| Completeness [%] | 97.5 | |
| Redundancy | 5.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 293 | pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MGCL2 | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 1 | METHANOL | ||
| 5 | 1 | 1 | SODIUM CACODYLATE | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.57 (mM) | |
| 2 | 1 | drop | ligand | 0.71 (mM) | |
| 3 | 1 | drop | 8.6 (mM) | ||
| 4 | 1 | drop | spermine | 0.95 (mM) | |
| 5 | 1 | drop | MPD | 3.8 (%) | |
| 6 | 1 | reservoir | 40 (%) |
