7K2N
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[BAL-DEETGE]
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 | 2019-06-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.079, 68.739, 77.014 |
Unit cell angles | 90.00, 117.66, 90.00 |
Refinement procedure
Resolution | 29.520 - 2.220 |
R-factor | 0.2495 |
Rwork | 0.247 |
R-free | 0.29000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wfl |
RMSD bond length | 0.009 |
RMSD bond angle | 1.148 |
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] | 29.520 | 2.297 |
High resolution limit [Å] | 2.218 | 2.218 |
Rmerge | 0.047 | 0.350 |
Rmeas | 0.067 | 4952.000 |
Rpim | 0.047 | 0.350 |
Number of reflections | 37146 | 3602 |
<I/σ(I)> | 9.85 | 1.74 |
Completeness [%] | 99.3 | 96.85 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.997 | 0.836 |
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 |