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 |