8K8F
De novo design protein -N7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 4 |
Unit cell lengths | 72.427, 72.427, 33.677 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.140 - 1.450 |
R-factor | 0.2024 |
Rwork | 0.201 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.781 |
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] | 72.452 | 1.338 |
High resolution limit [Å] | 1.315 | 1.315 |
Number of reflections | 41632 | 376 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 99.3 | |
Redundancy | 12.4 | |
CC(1/2) | 0.999 | 0.388 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 1.6M Ammonium sulfate ,0.1M MES monohydrate PH6.5, 10% v/v 1,4Dioxane |