7NFL
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24N.
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 | 47.465, 47.465, 127.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.490 - 1.440 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.455 |
| Data reduction software | DIALS (1.14.13-g10ecfbb15-release) |
| 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] | 44.510 | 44.510 | 1.480 |
| High resolution limit [Å] | 1.440 | 6.440 | 1.440 |
| Rmerge | 0.125 | 0.032 | 9.999 |
| Rmeas | 0.128 | 0.034 | 14.351 |
| Rpim | 0.026 | 0.008 | 3.129 |
| Number of reflections | 13654 | 202 | 972 |
| <I/σ(I)> | 14.5 | 48.7 | 0.6 |
| Completeness [%] | 99.7 | 99.8 | 99.1 |
| Redundancy | 24.1 | 20.7 | 21.1 |
| CC(1/2) | 0.999 | 1.000 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 50 mM 2-(bis(2-hydroxyethyl)amino)acetic acid (BICINE) and 5% v/v 2-methyl-2,4-pentanediol (MPD). |
