8HDU
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 | 2021-12-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979150 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 167.547, 72.593, 103.518 |
Unit cell angles | 90.00, 115.80, 90.00 |
Refinement procedure
Resolution | 41.860 - 2.710 |
R-factor | 0.2381 |
Rwork | 0.237 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | alphafold |
RMSD bond length | 0.004 |
RMSD bond angle | 0.740 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.807 |
High resolution limit [Å] | 2.710 | 2.710 |
Number of reflections | 29506 | 2892 |
<I/σ(I)> | 11.34 | |
Completeness [%] | 96.1 | |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.642 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 20% PEG3350, 0.2 M di-Ammonium hydrogen Citrate |