4QKK
Crystal structure of an oligonucleotide containing 5-formylcytosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-04-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 44.393, 44.393, 46.254 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.974 - 1.400 |
R-factor | 0.1411 |
Rwork | 0.140 |
R-free | 0.15930 |
Structure solution method | P-SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.377 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.250 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.060 | 0.172 |
Number of reflections | 9608 | |
<I/σ(I)> | 19.3 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.1 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.01M magnesium sulphate, 0.05M sodium cacodylate, 1.8M lithium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |