7UID
Thyclotides peptide nucleic acid in complex with DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2021-04-15 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 54.286, 64.098, 71.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.620 - 2.000 |
| R-factor | 0.2339 |
| Rwork | 0.232 |
| R-free | 0.26460 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS (2021) |
| Data scaling software | XDS (2021) |
| Phasing software | AutoSol (1.19) |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.620 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.160 |
| Number of reflections | 8493 | 622 |
| <I/σ(I)> | 20.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.2 | |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 10% PEG 3350, 200mM Zinc Acetate, 100mM Sodium Acetate, pH 4.5 |
