3H8R
Structure determination of DNA methylation lesions N1-meA and N3-meC in duplex DNA using a cross-linked host-guest system
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-04 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 78.080, 78.080, 228.710 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.770 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.534 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 38371 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 20.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 277 | PEG 5000, NaCl, MgCl2, Cacodylate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
