465D
STRUCTURE OF THE TOPOISOMERASE II POISON BOUND TO DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-12 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 64 |
| Unit cell lengths | 30.161, 30.161, 39.692 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.000 - 1.600 |
| R-factor | 0.193 * |
| Rwork | 0.193 |
| R-free | 0.25600 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| Starting model (for MR) | DDF073 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.021 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.029 | 0.142 |
| Total number of observations | 67055 * | |
| Number of reflections | 2763 | |
| <I/σ(I)> | 56.8 | 5 |
| Completeness [%] | 98.4 | 97 |
| Redundancy | 24.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 285 | 0.5 MM DNA, 20 MM SODIUM CACODYLATE BUFFER, PH 6.5, 4 MM MAGNESIUM ACETATE, 1 MM COBALT(II) CHLORIDE, 0.33 MM SPERMINE.4HCL, 1 MM 9-AMINO-[N-(2- DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE AND 9% MPD EQUILIBRATED AGAINST 1 ML OF A SOLUTION OF 45% MPD IN WATER, 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 | DNA | 0.5 (mM) | |
| 2 | 1 | drop | sodium cacodylate | 20 (mM) | |
| 3 | 1 | drop | magnesium acetate | 4 (mM) | |
| 4 | 1 | drop | 1 (mM) | ||
| 5 | 1 | drop | spermine-4HCl | 0.33 (mM) | |
| 6 | 1 | drop | 9-amino-DACA-2HCl | 1 (mM) | |
| 7 | 1 | drop | MPD | 9 (%) | |
| 8 | 1 | reservoir | MPD | 45 (%) |
