4O5X
O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-26 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.952, 40.452, 65.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.410 - 1.600 |
R-factor | 0.24868 |
Rwork | 0.248 |
R-free | 0.26864 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.029 |
RMSD bond angle | 3.103 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.047 | 0.037 | 0.327 |
Number of reflections | 9622 | ||
<I/σ(I)> | 24.7 | ||
Completeness [%] | 99.6 | 95.3 | 100 |
Redundancy | 13.6 | 10.2 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 5%(v/v)MPD, 6mM spermine 4HCL, 40mM NaCL, 6mM KCL, 10mM MgCL2, 20mM Na cacodylate(pH6.0), 0.5mM Hoechst 33258, 0.5mM DNA, vapor diffusion, hanging drop, temperature 277K |