8OYV
De novo designed Claudin fold CLF_4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 35.560, 50.770, 54.930 |
Unit cell angles | 107.61, 90.49, 90.06 |
Refinement procedure
Resolution | 52.350 - 2.790 |
R-factor | 0.2744 |
Rwork | 0.273 |
R-free | 0.31760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.477 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.350 | 2.895 |
High resolution limit [Å] | 2.790 | 2.795 |
Rmerge | 0.107 | 1.588 |
Number of reflections | 8007 | 858 |
<I/σ(I)> | 6.34 | 1.42 |
Completeness [%] | 88.0 | 95.12 |
Redundancy | 2.5 | 2.7 |
CC(1/2) | 0.990 | 0.437 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277.15 | 0.1 M sodium citrate pH 5, 0.1 M Sodium/Potassium phosphate pH 5.5, 0.1M Rubidium Chloride, 25% v/v PEG smear medium |