5AXF
Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NMe)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-14 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.420, 45.120, 45.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.725 - 1.130 |
R-factor | 0.1312 |
Rwork | 0.131 |
R-free | 0.14480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.096 |
Data scaling software | Aimless (0.2.17) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.020 | 32.020 | 1.150 |
High resolution limit [Å] | 1.130 | 6.080 | 1.130 |
Rmerge | 0.061 | 0.032 | 0.378 |
Rpim | 0.025 | 0.016 | 0.157 |
Total number of observations | 131157 | 447 | 6485 |
Number of reflections | 19277 | ||
<I/σ(I)> | 17.1 | 24.8 | 4.6 |
Completeness [%] | 98.6 | 65.4 | 98.3 |
Redundancy | 6.8 | 4.3 | 6.6 |
CC(1/2) | 0.999 | 0.998 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | MPD |