7NFH
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4.
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 | 2017-02-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 77.920, 77.920, 100.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.940 - 1.620 |
| R-factor | 0.1907 |
| Rwork | 0.188 |
| R-free | 0.25170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.627 |
| Data reduction software | XDS (Nov 1, 2016) |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.940 | 55.940 | 1.660 |
| High resolution limit [Å] | 1.620 | 7.240 | 1.620 |
| Rmerge | 0.106 | 0.026 | 4.135 |
| Rmeas | 0.109 | 0.027 | 4.263 |
| Rpim | 0.025 | 0.007 | 1.028 |
| Number of reflections | 45086 | 596 | 3297 |
| <I/σ(I)> | 16.4 | 75.9 | 1 |
| Completeness [%] | 99.7 | 99.9 | 99.1 |
| Redundancy | 19.4 | 17.4 | 17.4 |
| CC(1/2) | 1.000 | 1.000 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 250 mM ammonium sulfate and 50 mM 2-morpholinoethanesulfonic acid (MES). |
