4O5Y
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 | 25.957, 41.525, 64.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.950 - 1.750 |
| R-factor | 0.23066 |
| Rwork | 0.229 |
| R-free | 0.26859 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.356 |
| 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 | 0.081 | 0.047 | 0.484 |
| Number of reflections | 7413 | ||
| <I/σ(I)> | 16.2 | ||
| Completeness [%] | 98.0 | 91.7 | 94.4 |
| Redundancy | 11.5 | 6.6 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 5%(v/v)MPD, 6mM spermine 4HCL, 40mM KCL, 10mM BaCL2, 20mM Na cacodylate(pH6.0), 0.5mM DNA, vapor diffusion, hanging drop, temperature 277K |
