8K83
De novo design protein -N2
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 | 68.550, 39.340, 70.549 |
Unit cell angles | 90.00, 98.81, 90.00 |
Refinement procedure
Resolution | 33.130 - 1.800 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.696 |
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] | 52.790 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 34581 | 2006 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 99.1 | |
Redundancy | 5.1 | |
CC(1/2) | 0.998 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 0.2M MES monohydrate pH5.3, 20% w/v Polyethylene glycol 4,000 |