7K2E
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GDEETGE]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-24 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.149, 68.872, 77.371 |
Unit cell angles | 90.00, 117.48, 90.00 |
Refinement procedure
Resolution | 29.310 - 2.030 |
R-factor | 0.2161 |
Rwork | 0.215 |
R-free | 0.25020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wfl |
RMSD bond length | 0.007 |
RMSD bond angle | 0.912 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.310 | 2.104 |
High resolution limit [Å] | 2.030 | 2.031 |
Rmerge | 0.043 | 0.445 |
Rmeas | 0.061 | 0.630 |
Rpim | 0.043 | 0.445 |
Number of reflections | 48405 | 4659 |
<I/σ(I)> | 11.22 | 1.88 |
Completeness [%] | 98.9 | 95.42 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.998 | 0.726 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.2 - 1.5 M Ammonium Sulfate, 0.5-0.7% PEG-MME-550, 0.1 M Bis-Tris pH = 6.0 - 6.5 |