8A09
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(QgLaId)4
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 | 2021-05-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 |
| Unit cell lengths | 53.710, 53.710, 46.392 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.850 - 1.350 |
| R-factor | 0.1753 |
| Rwork | 0.174 |
| R-free | 0.19370 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.177 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | Arcimboldo |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.850 | 1.398 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.146 | 1.009 |
| Rmeas | 0.162 | 1.145 |
| Rpim | 0.069 | 0.534 |
| Number of reflections | 10984 | 1089 |
| <I/σ(I)> | 13.01 | 0.77 |
| Completeness [%] | 99.8 | 99.91 |
| Redundancy | 5.2 | 4.5 |
| CC(1/2) | 0.988 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | 1.5 mM peptide, 50 mM Sodium acetate, 1% w/v PEG 4000 at pH 5.0 |
