5W20
Crystal Structure of inosine-substituted duplex 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 | 2015-06-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.190, 35.043, 41.336 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.730 - 1.360 |
| R-factor | 0.14922 |
| Rwork | 0.147 |
| R-free | 0.18090 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.607 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.410 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.073 | 0.343 |
| Rpim | 0.035 | 0.133 |
| Number of reflections | 11019 | 1002 |
| <I/σ(I)> | 30.57 | |
| Completeness [%] | 99.1 | 95 |
| Redundancy | 7.7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | Droplets (2 uL) containing oligonucleotide (0.23 mM), sodium cacodylate (25 mM, pH 6.5), magnesium acetate (12.5 mM), and 2-methyl-2,4-pentanediol (MPD, 20% v/v) that were equilibrated against a 1 mL reservoir of sodium cacodylate (50 mM, pH 6.5), magnesium acetate (25 mM), and MPD (40%) v/v) |
