7NFO
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17C.
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 | 2020-02-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 40.640, 43.400, 40.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.400 - 1.370 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS (Mar 15, 2019) |
| 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] | 40.400 | 40.400 | 1.410 |
| High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
| Rmerge | 0.086 | 0.038 | 2.370 |
| Rmeas | 0.090 | 0.040 | 2.533 |
| Rpim | 0.025 | 0.012 | 0.856 |
| Number of reflections | 15267 | 209 | 932 |
| <I/σ(I)> | 13.3 | 40.5 | 0.8 |
| Completeness [%] | 98.1 | 95.2 | 83.8 |
| Redundancy | 12.3 | 11 | 7.9 |
| CC(1/2) | 0.999 | 1.000 | 0.327 |
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 400 mM potasium sodium tartrate tetrahydrate and 50 mM sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (sodium HEPES). |
