7NFN
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N.
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 | 2019-10-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.898, 47.910, 62.277 |
| Unit cell angles | 67.39, 67.49, 77.73 |
Refinement procedure
| Resolution | 44.160 - 1.450 |
| R-factor | 0.1359 |
| Rwork | 0.134 |
| R-free | 0.17770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.666 |
| Data reduction software | DIALS (2.2.5-g89235367c-release) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.160 | 44.160 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.051 | 0.029 | 0.643 |
| Rmeas | 0.060 | 0.035 | 0.783 |
| Rpim | 0.032 | 0.019 | 0.440 |
| Number of reflections | 79988 | 502 | 3511 |
| <I/σ(I)> | 10.6 | 24.1 | 1.6 |
| Completeness [%] | 95.9 | 99.2 | 86.6 |
| Redundancy | 3.5 | 3.6 | 3 |
| CC(1/2) | 0.998 | 0.998 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 100 mM magnesium chloride hexahydrate, 50 mM 2-amino-2-(hydroxymethyl)propane-1,3-diol (TRIS) and 1.7 M 1,6-hexanediol. |
