3GJL
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 | 2006-12-17 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 26.477, 26.477, 98.958 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.340 - 1.920 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ehv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.209 |
| 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 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.064 | 0.291 |
| Number of reflections | 3233 | |
| <I/σ(I)> | 91.6 | 15.9 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 20.7 | 21.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25mM Sodium cacodylate (pH7.0), 6mM Spermine, tetrahydrochloride, 50mM NaCl, 5% MPD , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
