144D
MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Detector technology | DIFFRACTOMETER |
| Detector | RIGAKU AFC-5R |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.480, 36.110, 69.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.250 |
| R-factor | 0.17 |
| RMSD bond length | 0.019 * |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.250 |
| Number of reflections | 1618 |
| Completeness [%] | 50.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | pH 7.00, VAPOR DIFFUSION |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | NA CACODYLATE | ||
| 4 | 1 | 1 | MGCL2 | ||
| 5 | 1 | 1 | SPERMINE | ||
| 6 | 1 | 1 | NH4 ACETATE | ||
| 7 | 1 | 2 | WATER | ||
| 8 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | dodecamer | 0.5 (mM) | |
| 2 | 1 | drop | SN6999 | 0.5 (mM) | |
| 3 | 1 | drop | cacodylate | 30 (mM) | |
| 4 | 1 | drop | 8 (mM) | ||
| 5 | 1 | drop | spermine | 1.2 (mM) | |
| 6 | 1 | drop | ammonium acetate | 60 (mM) | |
| 7 | 1 | drop | MPD | 2.5 (%) | |
| 8 | 1 | reservoir | 50 (%) |
