6WLX
PAK4 kinase domain in complex with beta-catenin Ser675 substrate peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.605, 61.605, 179.402 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.850 - 2.200 |
R-factor | 0.1984 |
Rwork | 0.197 |
R-free | 0.22920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fij |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.105 | 0.057 | 1.150 |
Rmeas | 0.110 | 0.060 | 1.202 |
Rpim | 0.032 | 0.018 | 0.347 |
Total number of observations | 208953 | ||
Number of reflections | 18577 | 2051 | 1799 |
<I/σ(I)> | 8 | ||
Completeness [%] | 99.9 | 99.7 | 100 |
Redundancy | 11.2 | 10.4 | 11.8 |
CC(1/2) | 0.998 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M Tris-HCl, 2M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, 5mM peptide |