4QC7
Dodecamer structure of 5-formylcytosine containing DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-04-10 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.095, 41.476, 65.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.070 - 1.900 |
R-factor | 0.22767 |
Rwork | 0.226 |
R-free | 0.24529 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 436D |
RMSD bond length | 0.011 |
RMSD bond angle | 1.333 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.064 | 0.738 |
Number of reflections | 5801 | |
<I/σ(I)> | 60 | 3.25 |
Completeness [%] | 99.3 | 100 |
Redundancy | 10.2 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 5% MPD, 20 mM Na Cacodylate, 6 mM Spermine tetra-HCl, 6 mM NaCl, 40 mM KCl , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |