5CH0
Crystal structure of an A-form DNA duplex containing 5-hydroxylmethylcytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2011-09-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 43.050, 43.050, 23.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.440 - 1.400 |
| R-factor | 0.19029 |
| Rwork | 0.190 |
| R-free | 0.20107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z7i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.644 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.074 | 0.174 |
| Number of reflections | 4738 | |
| <I/σ(I)> | 52.1 | 9.57 |
| Completeness [%] | 99.5 | 92.7 |
| Redundancy | 21.4 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% MPD, 40 mM Na cacodylate pH 7.0, 12 mM spermine tetra-HCl, 12mM KCl and 80 mM NaCl |
