9TLL
De novo designed single-chain antiparallel coiled-coil hairpin, Sc-apCC-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.873 |
| Spacegroup name | I 41 |
| Unit cell lengths | 48.237, 48.237, 70.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.110 - 1.500 |
| R-factor | 0.1816 |
| Rwork | 0.181 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.067 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.110 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rpim | 0.840 | |
| Number of reflections | 15585 | 1237 |
| <I/σ(I)> | 11.04 | |
| Completeness [%] | 99.4 | 97.25 |
| Redundancy | 11.6 | |
| CC(1/2) | 0.950 | 0.110 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.2 M Lithium sulfate, 0.1 M Phosphate/citrate, 20% w/v PEG 1000 |
