7BO9
A hexameric de novo coiled-coil assembly: CC-Type2-(VaYd)4-Y3F-W19(BrPhe).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-01-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.630, 50.900, 69.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.080 - 1.560 |
R-factor | 0.1901 |
Rwork | 0.187 |
R-free | 0.23930 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.805 |
Data reduction software | XDS (Nov 11, 2017) |
Data scaling software | XSCALE (Nov 11, 2017) |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.900 | 50.900 | 1.600 |
High resolution limit [Å] | 1.560 | 6.980 | 1.560 |
Rmerge | 0.101 | 0.065 | 1.975 |
Rmeas | 0.105 | 0.069 | 2.064 |
Rpim | 0.030 | 0.021 | 0.597 |
Number of reflections | 23181 | 314 | 1672 |
<I/σ(I)> | 12.6 | 31.2 | 1.3 |
Completeness [%] | 99.8 | 97.9 | 99.5 |
Redundancy | 12.7 | 10 | 11.8 |
CC(1/2) | 0.998 | 0.997 | 0.609 |
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 0.1 M sodium sulphate, 0.05 M Bis-Tris propane and 20% w/v PEG 3350. |