8KAC
De novo design protein -NX1
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 | C 1 2 1 |
Unit cell lengths | 100.643, 47.995, 27.476 |
Unit cell angles | 90.00, 94.86, 90.00 |
Refinement procedure
Resolution | 27.430 - 1.750 |
R-factor | 0.1997 |
Rwork | 0.199 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.527 |
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] | 50.140 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 11381 | 463 |
<I/σ(I)> | 19 | |
Completeness [%] | 85.7 | |
Redundancy | 5.9 | |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.1M Ammonium acetate pH 4.5 27% w/v PEG10,000 |