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. |