8HDV
De novo design cavitated protein without predefined topology
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 | 2022-01-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979150 |
| Spacegroup name | P 43 |
| Unit cell lengths | 60.698, 60.698, 102.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.260 - 2.650 |
| R-factor | 0.2451 |
| Rwork | 0.242 |
| R-free | 0.30580 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.240 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.745 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 10863 | 1083 |
| <I/σ(I)> | 20.57 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.6 | |
| CC(1/2) | 0.998 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.2 M imidazole malate, pH5.5, 24%v/v PEG600 |
