3OPI
7-DEAZA-2'-DEOXYADENOSINE modification in B-FORM DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.635, 40.310, 65.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.400 - 1.100 |
| Rwork | 0.161 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 355d |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.950 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.048 | 0.390 |
| Number of reflections | 27920 | |
| <I/σ(I)> | 61.3 | |
| Completeness [%] | 97.8 | 95.8 |
| Redundancy | 10.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | DROPLETS CONTAINING 0.6 MM OLIGONUCLEOTIDE, 5% 2-METHYL-2,4-PENTANEDIOL (MPD), 20 MM SODIUM CACODYLATE, 6 MM SPERMINE TETRAHYDROCHLORIDE, 40 MM NACL WERE EQUILIBRATED AGAINST A RESERVOIR OF 0.75 ML OF 35% MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
