5MVU
Crystal structure of an A-DNA dodecamer containing 5-formylcytosine in 3 consecutive CpG steps
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 44.200, 44.200, 61.683 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.520 - 2.300 |
| R-factor | 0.14921 |
| Rwork | 0.149 |
| R-free | 0.15756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mvl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 38.280 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 3349 |
| <I/σ(I)> | 15.4 |
| Completeness [%] | 99.9 |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Magnesium chloride (18 mM) Spermine tetrahydrochloride (3 mM) Sodium cacodylate (50 mM) 2-Propanol (10% v/v) |
