8UPB
De novo designed IL-6 mimetic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.7749 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 47.010, 47.010, 74.207 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.710 - 1.480 |
R-factor | 0.2065 |
Rwork | 0.204 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.912 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.710 | 1.533 |
High resolution limit [Å] | 1.480 | 1.480 |
Number of reflections | 14459 | 1385 |
<I/σ(I)> | 19.35 | |
Completeness [%] | 99.9 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.539 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1M Tri-sodium citrate, 0.1M Sodium cacodylate pH 6.5 |