7NFK
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
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 | I 4 2 2 |
| Unit cell lengths | 47.980, 47.980, 127.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.920 - 1.300 |
| R-factor | 0.1855 |
| Rwork | 0.185 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.451 |
| Data reduction software | XDS (Nov 11, 2017) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.920 | 44.920 | 1.330 |
| High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
| Rmerge | 0.047 | 0.057 | 2.644 |
| Rmeas | 0.048 | 0.059 | 2.710 |
| Rpim | 0.010 | 0.015 | 0.590 |
| Number of reflections | 18806 | 268 | 1364 |
| <I/σ(I)> | 33.4 | 82.2 | 1.3 |
| Completeness [%] | 99.5 | 99.7 | 99.8 |
| Redundancy | 24.3 | 17.5 | 20.6 |
| CC(1/2) | 0.999 | 0.998 | 0.642 |
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 100 mM sodium citrate tribasic dihydrate, 50 mM sodium cacodylate and 15% v/v 2-propanol. |
