8KC4
De novo design protein -NA05
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 21 21 21 |
Unit cell lengths | 40.535, 59.101, 67.956 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.2544 |
Rwork | 0.253 |
R-free | 0.27890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.366 |
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] | 44.600 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 8750 | 732 |
<I/σ(I)> | 12.4 | |
Completeness [%] | 100.0 | |
Redundancy | 8.9 | |
CC(1/2) | 0.998 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.2M Imidazole malate pH7.0 20% w/v PEG4000 |