8KC1
De novo design protein -NX5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 44.341, 45.072, 45.599 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.060 - 1.800 |
| R-factor | 0.2302 |
| Rwork | 0.229 |
| R-free | 0.24910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.403 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.600 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 8756 | 501 |
| <I/σ(I)> | 19.1 | |
| Completeness [%] | 97.9 | |
| Redundancy | 10.1 | |
| CC(1/2) | 0.996 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.2M Imidazole malate pH7.0 25% w/v PEG4000 |
