8K8I
De novo design protein -N14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.019, 56.019, 110.446 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.330 - 2.100 |
| R-factor | 0.2412 |
| Rwork | 0.240 |
| R-free | 0.27030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.516 |
| 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] | 48.510 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 12192 | 973 |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 19.3 | |
| CC(1/2) | 0.999 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.2M Ammonium sulfate 0.1M Tris pH8.0 20% v/v PEG Smear Broad |
