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 |