7NFJ
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L28Y.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 48.539, 130.416, 38.454 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.530 - 1.190 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.20390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.847 |
| Data reduction software | DIALS (1.8.3-g908a951f-release) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.580 | 48.480 | 1.220 |
| High resolution limit [Å] | 1.190 | 5.320 | 1.190 |
| Rmerge | 0.043 | 0.047 | 0.893 |
| Rmeas | 0.046 | 0.051 | 0.982 |
| Rpim | 0.013 | 0.020 | 0.397 |
| Number of reflections | 78107 | 1015 | 5251 |
| <I/σ(I)> | 18 | 54.5 | 1.6 |
| Completeness [%] | 98.5 | 98.1 | 91.2 |
| Redundancy | 10.7 | 10.7 | 5.8 |
| CC(1/2) | 0.997 | 0.983 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 50 mM sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (sodium HEPES), 5% w/v PEG 8000 and 4% v/v ethylene glycol. |
