8KDQ
De novo design protein -T03
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 | 2023-01-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.500, 33.469, 71.772 |
| Unit cell angles | 90.00, 91.89, 90.00 |
Refinement procedure
| Resolution | 31.210 - 1.700 |
| R-factor | 0.2097 |
| Rwork | 0.206 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.539 |
| 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] | 50.000 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 22229 | 2116 |
| <I/σ(I)> | 14.75 | |
| Completeness [%] | 96.5 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.2M Magnesium Chloride 30% w/v PEG 4K |
