7K2Q
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[Ahx-DPETGE]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96707 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.150, 68.750, 77.595 |
Unit cell angles | 90.00, 117.43, 90.00 |
Refinement procedure
Resolution | 42.120 - 2.370 |
R-factor | 0.2209 |
Rwork | 0.218 |
R-free | 0.26380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wfl |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.120 | 2.455 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.090 | 0.475 |
Rmeas | 0.101 | 0.551 |
Rpim | 0.044 | 0.270 |
Number of reflections | 29995 | 2636 |
<I/σ(I)> | 8.32 | 1.54 |
Completeness [%] | 96.7 | 85.8 |
Redundancy | 5 | 3.7 |
CC(1/2) | 0.997 | 0.821 |
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 |