7K2I
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE]
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 | 2019-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9796 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 77.183, 68.618, 143.534 |
Unit cell angles | 90.00, 90.88, 90.00 |
Refinement procedure
Resolution | 34.200 - 2.420 |
R-factor | 0.2189 |
Rwork | 0.216 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wfl |
Data reduction software | HKL-3000 |
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] | 34.200 | 2.506 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.074 | 0.692 |
Rmeas | 0.104 | |
Rpim | 0.074 | 0.692 |
Number of reflections | 55898 | 5497 |
<I/σ(I)> | 5.7 | |
Completeness [%] | 98.8 | 97.94 |
Redundancy | 2 | 2 |
CC(1/2) | 0.993 | 0.528 |
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 |