7EAY
DNA containing Cu(II)-mediated 4-N-carboxymethylcytosine base pairs
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 | PIXEL |
| Collection date | 2015-11-28 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.923, 155.333, 80.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.270 - 2.500 |
| R-factor | 0.2181 |
| Rwork | 0.214 |
| R-free | 0.25300 |
| Structure solution method | SAD |
| Data reduction software | XSCALE |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.270 | 39.270 | 2.570 |
| High resolution limit [Å] | 2.500 | 11.200 | 2.500 |
| Rmerge | 0.057 | 0.035 | 0.381 |
| Rmeas | 0.068 | 0.042 | 0.449 |
| Total number of observations | 125895 | ||
| Number of reflections | 37324 | 386 | 2758 |
| <I/σ(I)> | 12.46 | 23.4 | 3.34 |
| Completeness [%] | 99.3 | 91.7 | 98.2 |
| Redundancy | 3.373 | 3.031 | 3.477 |
| CC(1/2) | 0.998 | 0.998 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | MPD, hexamine cobalt chloride, potassium chloride, sodium cacodylate |
