385D
FORMATION OF A NEW COMPOUND IN THE CRYSTAL STRUCTURE OF CYANOMORPHOLINODOXORUBICIN COMPLEXED WITH D(CGATCG)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1995-10 |
| Detector | RIGAKU AFC-5R |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 28.130, 28.130, 53.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.600 |
| R-factor | 0.206 * |
| R-free | 0.21700 |
| RMSD bond length | 0.008 |
| Data reduction software | TEXSAN |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | |
| High resolution limit [Å] | 1.600 | 1.600 * |
| Rmerge | 0.121 | |
| Number of reflections | 3509 | |
| Completeness [%] | 88.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | pH 5.50, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | SPERMINE_HCL | ||
| 4 | 1 | 1 | NA CACODYLATE | ||
| 5 | 1 | 1 | MGCL2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium cacodylate | 20 (mM) | |
| 2 | 1 | drop | DNA | 1.5 (mM) | |
| 3 | 1 | drop | 9 (mM) | ||
| 4 | 1 | drop | spermine hydrochloride | 1.5 (mM) | |
| 5 | 1 | drop | MPD | 20 (%) | |
| 6 | 1 | drop | CMD | 1 (mM) | dissolved in methanol |
| 7 | 1 | reservoir | MPD | 35 (%) |
