7NFI
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L7Y.
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 | 47.393, 47.393, 127.164 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.410 - 1.420 |
R-factor | 0.1772 |
Rwork | 0.175 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | model helices |
RMSD bond length | 0.011 |
RMSD bond angle | 1.492 |
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 (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.410 | 44.410 | 1.460 |
High resolution limit [Å] | 1.420 | 6.350 | 1.420 |
Rmerge | 0.048 | 0.023 | 4.984 |
Rmeas | 0.049 | 0.023 | 5.183 |
Rpim | 0.011 | 0.006 | 1.403 |
Number of reflections | 14194 | 207 | 1022 |
<I/σ(I)> | 24.6 | 72.7 | 0.8 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 20.6 | 19 | 13.2 |
CC(1/2) | 1.000 | 1.000 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | After 1:1 dilution with the peptide solution, the resulting conditions were 100 mM ammonium formate and 10% w/v PEG 3350. |