7XM2
Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with NXPZ-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-10-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.256, 75.619, 48.651 |
Unit cell angles | 90.00, 106.39, 90.00 |
Refinement procedure
Resolution | 46.670 - 2.300 |
R-factor | 0.1725 |
Rwork | 0.168 |
R-free | 0.21580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xmb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.988 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.140 | 0.670 |
Number of reflections | 19560 | 1932 |
<I/σ(I)> | 11 | |
Completeness [%] | 99.7 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.05 M Zinc acetate dihydrate, 20% w/v Polyethylene glycol 3,350 |