8KA7
De novo design protein -NB7
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 | I 41 2 2 |
Unit cell lengths | 79.553, 79.553, 92.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.640 - 1.850 |
R-factor | 0.2197 |
Rwork | 0.219 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.995 |
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] | 56.250 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 12836 | 689 |
<I/σ(I)> | 39.3 | |
Completeness [%] | 99.0 | |
Redundancy | 23.8 | |
CC(1/2) | 1.000 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 20%w/v PEG4K, 20% iso-Propanole ,0.1M Sodium Citrate ,pH5.6 |