4O5Z
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 BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.873, 41.764, 64.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.070 - 1.750 |
| R-factor | 0.22936 |
| Rwork | 0.228 |
| R-free | 0.26349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.576 |
| 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 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.044 | 0.030 | 0.612 |
| Number of reflections | 7150 | ||
| <I/σ(I)> | 19.6 | ||
| Completeness [%] | 94.9 | 91.9 | 56.7 |
| Redundancy | 9.6 | 11.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 5%(v/v)MPD, 6mM spermine 4HCL, 40mM NaCL, 10mM BaCL2, 20mM Na cacodylate(pH7.0), 0.5mM DNA, vapor diffusion, hanging drop, temperature 277K |
