7NFF
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A.
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 | 2015-01-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9174 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 47.435, 47.435, 127.515 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.760 - 1.550 |
| R-factor | 0.1882 |
| Rwork | 0.188 |
| R-free | 0.19860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | model helices |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.886 |
| 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 (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.760 | 63.740 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.065 | 0.031 | 3.095 |
| Rmeas | 0.066 | 0.032 | 3.194 |
| Rpim | 0.014 | 0.008 | 0.760 |
| Number of reflections | 10901 | 163 | 711 |
| <I/σ(I)> | 20.7 | 63.7 | 0.8 |
| Completeness [%] | 98.7 | 99.9 | 87.6 |
| Redundancy | 23.7 | 21.5 | 16.6 |
| CC(1/2) | 1.000 | 0.999 | 0.488 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 50 mM 2-amino-2-(hydroxymethyl)propane-1,3-diol (TRIS) and 10% v/v ethanol. |
