4GJU
5-Methylcytosine modified DNA oligomer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-09 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00067 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.495, 40.400, 65.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.400 - 1.412 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dpn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.039 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.400 | 1.500 |
| High resolution limit [Å] | 1.412 | 1.412 |
| Number of reflections | 22852 | |
| <I/σ(I)> | 30.59 | 8.12 |
| Completeness [%] | 92.8 | 97.1 |
| Redundancy | 3.61 | 3.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.04M sodium cacodylate buffer, 0.08M NaCl, 0.02M MgCl2, 0.012M spermine tetra hydrochloride, 35% MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
