1EEL
STRUCTURE OF A COMPLEX BETWEEN THE DNA SEQUENCE DCGCGAATTCGCG AND BIS[PIPERIDINO-ETHYL]-FURAMIDINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-20 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.700, 40.730, 66.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.184 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DNA PART OF NDB STRUCTURE GDL044 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.012 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 12.000 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.033 |
| Total number of observations | 18138 * |
| Number of reflections | 3105 |
| <I/σ(I)> | 9.6 |
| Completeness [%] | 94.3 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 | 286 * | MPD 3 UL OF 25%, MGCL2 2UL OF 90MM, SPERMINE 1UL OF 10MM, DNA 2UL OF 2MM, LIGAND 2UL OF 3MM, MPD IN RESERVOIR 1ML OF 30%, pH 7, 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 | MPD | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 90 (mM) | ||
| 2 | 1 | drop | spermine | 10 (mM) | |
| 3 | 1 | drop | DNA | 2 (mM) | |
| 4 | 1 | drop | drug | 3 (mM) | |
| 5 | 1 | drop | MPD | 25 (%(v/v)) | |
| 6 | 1 | reservoir | MPD | 30 (%(v/v)) |
