5E36
Crystal structure of 2'-propargyl-modified DNA 8mer-duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2014-09-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 32.032, 55.526, 75.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.760 - 1.600 |
| R-factor | 0.13835 |
| Rwork | 0.137 |
| R-free | 0.16118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z7i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.650 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.072 | 0.222 |
| Number of reflections | 9231 | |
| <I/σ(I)> | 30.94 | 6.96 |
| Completeness [%] | 98.9 | 96.9 |
| Redundancy | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% 2-methyl-2,4-pentanediol (MPD), 40 mMsodiumcacodylate(pH 7.0), 12 mMspermine tetra-HCl, 40 mMLiCl, 80 mMstrontium chloride and 20 mM magnesium chloride. |
