8K84
De novo design protein -N3
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 1 21 1 |
Unit cell lengths | 69.899, 35.599, 70.422 |
Unit cell angles | 90.00, 117.01, 90.00 |
Refinement procedure
Resolution | 25.010 - 2.000 |
R-factor | 0.1914 |
Rwork | 0.188 |
R-free | 0.24550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.734 |
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] | 59.820 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 21086 | 1527 |
<I/σ(I)> | 6.7 | |
Completeness [%] | 99.3 | |
Redundancy | 3 | |
CC(1/2) | 0.990 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.2M Imidazole malate pH5.5 33% w/v PEG600 |