8PKX
Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC).
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) | 0.99999 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.430, 68.877, 78.252 |
Unit cell angles | 90.00, 117.68, 90.00 |
Refinement procedure
Resolution | 42.240 - 1.790 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.20980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.836 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.240 | 1.900 |
High resolution limit [Å] | 1.790 | 1.790 |
Number of reflections | 72288 | 11545 |
<I/σ(I)> | 16.53 | 1.27 |
Completeness [%] | 99.6 | |
Redundancy | 6.93 | |
CC(1/2) | 0.999 | 0.580 |
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 |