4I9V
The atomic structure of 5-Hydroxymethyl 2'-deoxycitidine base paired with 2'-deoxyguanosine in Dickerson Drew Dodecamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.606, 41.344, 64.319 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.880 - 1.020 |
| R-factor | 0.16064 |
| Rwork | 0.159 |
| R-free | 0.18189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 436d |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.488 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.900 | 1.030 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Rmerge | 0.043 | 0.780 |
| Number of reflections | 35974 | |
| <I/σ(I)> | 44.67 | |
| Completeness [%] | 98.0 | 99.9 |
| Redundancy | 8.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 10% MPD,40mM cacodylate, 80mM NaCl,12 mM spermine tetrachloride, 20mM MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
