3KUY
DNA Stretching in the Nucleosome Facilitates Alkylation by an Intercalating Antitumor Agent
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.161, 109.588, 182.413 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.170 - 2.900 |
R-factor | 0.23896 |
Rwork | 0.238 |
R-free | 0.28591 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nzd |
RMSD bond length | 0.008 |
RMSD bond angle | 1.389 |
Data reduction software | MOSFLM |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.800 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.068 | 0.483 |
Total number of observations | 356697 | |
Number of reflections | 47896 | |
<I/σ(I)> | 2.9 | |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 7.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6 | 291 | 85 mM MnCl2, 60 mM KCl, 20 mM K-Cacodylate, 4 mg/ml NCP over well with 1/2 conc., pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K, EVAPORATION |