3GJH
Crystal structure of a DNA duplex containing 7,8-dihydropyridol[2,3-d]pyrimidin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.207, 41.379, 64.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.900 |
| Rwork | 0.259 |
| R-free | 0.30600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d30 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.064 | 0.322 |
| Number of reflections | 1708 | |
| <I/σ(I)> | 38.7 | 2.5 |
| Completeness [%] | 98.9 | |
| Redundancy | 6.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 20mM Sodium cacodylate (pH7.0), 6mM Spermine tetrahydrochloride, 40mM KCl, 0.2% CHAPSO, 0.30mM DAPI, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
