8PKW
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 5 (ortho-WRCDPETaEC).
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 | 2023-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00001 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.684, 68.970, 77.965 |
Unit cell angles | 90.00, 117.86, 90.00 |
Refinement procedure
Resolution | 42.130 - 1.540 |
R-factor | 0.1583 |
Rwork | 0.158 |
R-free | 0.19920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.771 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.130 | 1.630 |
High resolution limit [Å] | 1.540 | 1.540 |
Number of reflections | 112741 | 18156 |
<I/σ(I)> | 16.86 | 1.09 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.77 | |
CC(1/2) | 0.999 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Bis-Tris pH 6.5, 1.5 M NH4SO4, 0.2 % PEG 550 |