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 |
