8KA6
De novo design protein -NA7
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 | 2023-05-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.800, 89.785, 93.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.090 - 2.200 |
R-factor | 0.2522 |
Rwork | 0.251 |
R-free | 0.27420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.356 |
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] | 46.510 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 16298 | 1304 |
<I/σ(I)> | 19.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.5 | |
CC(1/2) | 0.999 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 30% w/v PEG1500 |