4IJ0
Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.600, 41.230, 63.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.920 - 1.540 |
R-factor | 0.19663 |
Rwork | 0.194 |
R-free | 0.23679 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.030 |
RMSD bond angle | 3.705 |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.600 | 24.600 | 1.620 |
High resolution limit [Å] | 1.540 | 4.870 | 1.540 |
Rmerge | 0.072 | 0.286 | |
Number of reflections | 9559 | ||
<I/σ(I)> | 14.2 | 9.4 | 2.6 |
Completeness [%] | 95.8 | 47.7 | 100 |
Redundancy | 6.5 | 3.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 10%(v/v)MPD, 12mM spermine 4HCL, 40mM LiCL, 80mM SrCL2, 40mM Na cacodylate(pH7.0), 1mM Hoechst 33258, 1mM DNA, vapor diffusion, hanging drop, temperature 277K |