6ADV
Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs
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 | 2017-05-12 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.490, 41.130, 65.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.710 - 1.960 |
| R-factor | 0.2576 |
| Rwork | 0.253 |
| R-free | 0.29680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d27 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.515 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.710 | 32.710 | 2.010 |
| High resolution limit [Å] | 1.960 | 8.980 | 1.960 |
| Rmerge | 0.062 | 0.055 | 0.808 |
| Rmeas | 0.067 | 0.061 | 0.875 |
| Rpim | 0.026 | 0.026 | 0.331 |
| Total number of observations | 34495 | ||
| Number of reflections | 5231 | 37 | 351 |
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 98.7 | 48.7 | 99.7 |
| Redundancy | 6.6 | 4.9 | 6.6 |
| CC(1/2) | 0.998 | 0.997 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 293 | 2-Methyl-2,4-pentanediol |
