4O5W
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 | 25.863, 40.293, 65.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.290 - 1.600 |
R-factor | 0.22611 |
Rwork | 0.225 |
R-free | 0.25530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.030 |
RMSD bond angle | 3.115 |
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 | 0.044 | 0.027 | 0.249 |
Number of reflections | 9491 | ||
<I/σ(I)> | 20.3 | ||
Completeness [%] | 99.5 | 96.2 | 99.8 |
Redundancy | 9.7 | 6.5 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 5%(v/v)MPD, 6mM spermine 4HCL, 20mM LiCL, 10mM MgCL2, 40mM SrCL2, 20mM Na cacodylate(pH7.0), 0.5mM Hoechst 33258, 0.1%(w/w)CHAPS, 0.5mM DNA, vapor diffusion, hanging drop, temperature 277K |