8QAB
X-ray crystal structure of a de novo designed antiparallel coiled-coil hexameric alpha-helical barrel with 4 heptad repeats, apCCHex
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 | 2021-01-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.85 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.078, 30.914, 51.953 |
| Unit cell angles | 90.00, 88.64, 90.00 |
Refinement procedure
| Resolution | 34.880 - 1.400 |
| R-factor | 0.1746 |
| Rwork | 0.174 |
| R-free | 0.18860 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.119 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | Arcimboldo |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.880 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.036 | 0.852 |
| Rmeas | 0.039 | 0.954 |
| Rpim | 0.016 | 0.421 |
| Number of reflections | 29174 | 2850 |
| <I/σ(I)> | 22.17 | 0.67 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 6 | |
| CC(1/2) | 1.000 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Potassium thiocyanate, 30 % w/v PEG 2000 MME |
