8B16
A hexameric barrel state of a de novo coiled-coil assembly: CC-Pent2-I17Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.885, 43.292, 57.216 |
| Unit cell angles | 74.45, 88.71, 86.99 |
Refinement procedure
| Resolution | 55.120 - 1.550 |
| R-factor | 0.2214 |
| Rwork | 0.219 |
| R-free | 0.25940 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.968 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.120 | 1.606 |
| High resolution limit [Å] | 1.550 | 1.551 |
| Rmerge | 0.042 | 0.785 |
| Rmeas | 0.054 | 1.031 |
| Rpim | 0.033 | 0.660 |
| Number of reflections | 29690 | 584 |
| <I/σ(I)> | 16.45 | 0.66 |
| Completeness [%] | 69.4 | 13.65 |
| Redundancy | 2.5 | 2 |
| CC(1/2) | 0.998 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | MQ water, 1.5 mM peptide, 12.5% v/v Ethylene glycol |
