288D
SUBSTITUTIONS AT C2' OF DAUNOSAMINE IN THE ANTICANCER DAUNORUBICIN ALTER ITS DNA-BINDING SEQUENCE SPECIFICITY
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1995-07-17 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 28.042, 28.042, 53.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.205 |
RMSD bond length | 0.020 |
Data reduction software | MSC |
Refinement software | NUCLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 * | |
High resolution limit [Å] | 1.800 * | 1.800 * |
Rmerge | 0.062 | |
Completeness [%] | 86.9 * | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 298 | pH 6.00, VAPOR DIFFUSION, temperature 298.00K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | WATER | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 1 | BACL2 | ||
4 | 1 | 1 | NA CACODYLATE | ||
5 | 1 | 1 | SPERMINE | ||
6 | 1 | 2 | WATER | ||
7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | single-stranded DNA hexamer | 1.2 (mM) | |
2 | 1 | drop | 4 (mM) | ||
3 | 1 | drop | sodium cacodylate | 35 (mM) | |
4 | 1 | drop | spermine | 2.5 (mM) | |
5 | 1 | drop | drug | 1.2 (mM) | |
6 | 1 | drop | MPD | 5 (%) | |
7 | 1 | reservoir | 40 (%) | ||
8 | 1 | drop | 8 (mM) | ||
9 | 1 | reservoir | 1 (%) |