1FN2
9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-01-16 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 28.964, 52.620, 40.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.600 |
| R-factor | 0.251 |
| Rwork | 0.248 |
| R-free | 0.29700 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.012 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.064 | 0.222 |
| Number of reflections | 4123 | |
| <I/σ(I)> | 19.4 | 3.76 |
| Completeness [%] | 95.4 | 88.5 |
| Redundancy | 7.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285 | MPD, sodium cacodylate, magnesium acetate, cobalt(II) chloride, spermine., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 285K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | magnesium acetate | ||
| 3 | 1 | 1 | CoCl2 | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 20 (mM) | ||
| 2 | 1 | drop | DNA | 0.5 (mM) | double-stranded conc. |
| 3 | 1 | drop | magnesium acetate | 3 (mM) | |
| 4 | 1 | drop | 0.5 (mM) | ||
| 5 | 1 | drop | spermine | 4.5 (mM) | |
| 6 | 1 | drop | 9-aminobutyl-DACA | 1 (mM) | |
| 7 | 1 | drop | MPD | 7 (%) | |
| 8 | 1 | reservoir | MPD | 35 (%) |
