6NG0
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 180 |
| Detector technology | PIXEL |
| Collection date | 2018-08-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.810, 58.920, 60.930 |
| Unit cell angles | 82.44, 82.31, 64.34 |
Refinement procedure
| Resolution | 27.690 - 2.050 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.176 | 2.061 |
| High resolution limit [Å] | 2.026 | 2.026 |
| Rmerge | 0.036 | 0.501 |
| Number of reflections | 43684 | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 97.3 | 96.1 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 286.15 | 200 nl protein (15 mg/ml) plus 300 nl reservoir solution (0.1 M tris, pH 8.0, 17.5 % 1,6-Hexanediol, 10 mM magnesium sulfate, 24 mM Barium acetate) |
