444D
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 | 1997-11-07 |
| Detector | BRUKER SMART |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.370, 40.480, 66.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24900 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.066 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.486 | |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.118 | 0.521 |
| Number of reflections | 2916 | |
| Completeness [%] | 98.8 | 41.8 |
| Redundancy | 7.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | pH 7.0, VAPOR DIFFUSION, HANGING 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 | SODIUM CACODYLATE | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 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 | 3.8 (%) | ||
| 6 | 1 | reservoir | MPD | 40 (%) |
