3GJK
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 BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 26.221, 26.221, 99.016 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.700 - 2.200 |
| R-factor | 0.255 |
| Rwork | 0.252 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ehv |
| RMSD bond length | 0.029 |
| RMSD bond angle | 4.351 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.052 | 0.307 |
| Number of reflections | 2137 | |
| <I/σ(I)> | 70.4 | 11.3 |
| Completeness [%] | 98.9 | 100 |
| Redundancy | 9.5 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20mM Sodium cacodylate (pH7.0), 6mM Spermine tetrahydrochloride, 6mM NaCl, 40mM KCl, 5% MPD , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
