9EVG
X-ray crystal structure of a de novo designed parallel coiled-coil heterohexamer with 3 heptad repeats, CCHex2-AB-g
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.676, 94.612, 51.116 |
| Unit cell angles | 90.00, 91.75, 90.00 |
Refinement procedure
| Resolution | 47.310 - 1.900 |
| R-factor | 0.2009 |
| Rwork | 0.200 |
| R-free | 0.22650 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.566 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | Arcimboldo |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.310 | 1.971 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.114 | 0.257 |
| Rmeas | 0.119 | 0.267 |
| Rpim | 0.033 | 0.073 |
| Number of reflections | 24363 | 2402 |
| <I/σ(I)> | 11.57 | 1.59 |
| Completeness [%] | 99.9 | 99.26 |
| Redundancy | 13.2 | 13.1 |
| CC(1/2) | 0.997 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Sodium HEPES 7.5 20 % v/v Jeffamine M-600 |
