7NFM
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21K.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.928, 47.958, 72.148 |
| Unit cell angles | 70.57, 70.63, 90.10 |
Refinement procedure
| Resolution | 33.930 - 1.450 |
| R-factor | 0.2177 |
| Rwork | 0.217 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.381 |
| Data reduction software | XDS (Jan 31, 2020) |
| Data scaling software | XSCALE (Jan 31, 2020) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.900 | 44.900 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.053 | 0.062 | 0.727 |
| Rmeas | 0.063 | 0.073 | 0.859 |
| Rpim | 0.033 | 0.038 | 0.453 |
| Number of reflections | 95381 | 585 | 4600 |
| <I/σ(I)> | 10.2 | 23.3 | 1.7 |
| Completeness [%] | 94.9 | 96.5 | 93.1 |
| Redundancy | 3.5 | 3.4 | 3.5 |
| CC(1/2) | 0.996 | 0.992 | 0.752 |
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 100 mM sodium citrate tribasic dihydrate, 50 mM sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate (sodium HEPES) and 10% v/v 2-propanol. |
