8PKU
Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC).
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 | 2023-04-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99988 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.960, 68.583, 77.720 |
Unit cell angles | 90.00, 117.45, 90.00 |
Refinement procedure
Resolution | 42.100 - 1.730 |
R-factor | 0.1817 |
Rwork | 0.181 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.828 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.100 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 78891 | 12656 |
<I/σ(I)> | 16.08 | 1.09 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 6.72 | |
CC(1/2) | 0.999 | 0.592 |
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 |