6EIZ
A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel.
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 | 2016-01-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.080, 126.230, 58.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.345 - 1.850 |
R-factor | 0.2229 |
Rwork | 0.221 |
R-free | 0.25810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pn8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.083 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.345 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rpim | 0.036 | 0.416 |
Number of reflections | 19015 | 19015 |
<I/σ(I)> | 10.5 | 3.6 |
Completeness [%] | 92.5 | 57 |
Redundancy | 11.5 | 11.7 |
CC(1/2) | 0.997 | 0.934 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.1 M Na HEPES, 4.3 M Sodium Chloride |