6Q3O
PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-09 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.106, 76.478, 81.417 |
| Unit cell angles | 66.10, 86.83, 73.60 |
Refinement procedure
| Resolution | 28.290 - 2.230 |
| R-factor | 0.21397 |
| Rwork | 0.212 |
| R-free | 0.25291 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2KS3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.696 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.290 | 2.330 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 60589 | 7450 |
| <I/σ(I)> | 7.88 | |
| Completeness [%] | 99.2 | 99.2 |
| Redundancy | 1.89 | 1.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Zn acetate 0.2 M, Na cacodylate 0.1 M, PEG 8000 18%, NaN3 3mM |
