9L5Z
Crystal structure of a parallel-stranded PNA duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.063, 52.867, 53.340 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.700 |
| R-factor | 0.25092 |
| Rwork | 0.249 |
| R-free | 0.29046 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.168 |
| Data reduction software | XDS (Jun 30, 2023 BUILT=20230630) |
| Data scaling software | Aimless (1.12.15) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.740 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.075 | 1.061 |
| Number of reflections | 22955 | 1204 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 98.5 | |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.05 M Bis-Tris-HCl (pH 8.5), 0.052 M MgCl2, and 18%(w/v) PEG3350 |
