1FTD
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'-SYMMETRIC BIS-BENZIMIDAZOLE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-12-01 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.150, 39.940, 65.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.242 |
| Rwork | 0.244 |
| R-free | 0.29200 |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.100 |
| Number of reflections | 4427 | |
| <I/σ(I)> | 27.9 | |
| Completeness [%] | 92.9 | |
| Redundancy | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 284 | SODIUM CACODYLATE, MPD, SPERMINE TETRAHYDROCHLORIDE, NACL, MGCL2, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 284K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | SPERMINE TETRAHYDROCHLORIDE | ||
| 3 | 1 | 1 | NACL | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 1 (mM) | single stranded |
| 2 | 1 | drop | sodium cacodylate | 10 (mM) | |
| 3 | 1 | drop | compound 5 | 0.5 (mM) | |
| 4 | 1 | drop | MPD | 5 (%) | |
| 5 | 1 | drop | spermine tetrahydrochloride | 6 (mM) | |
| 6 | 1 | drop | 40 (mM) | ||
| 8 | 1 | reservoir | MPD | 35 (%) |
