6NFZ
Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active 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 | 2015-11-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 149.932, 149.932, 156.754 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.517 - 2.966 |
| R-factor | 0.2093 |
| Rwork | 0.207 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.958 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.995 | 2.976 |
| High resolution limit [Å] | 2.966 | 2.966 |
| Rmerge | 0.196 | |
| Rpim | 0.093 | 0.509 |
| Number of reflections | 14226 | 149 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10 | 10 |
| CC(1/2) | 0.996 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 286.15 | 0.2M ammonium fluoride, 20% PEG 3350, 100nl well + 100nl protein @ 22mg/ml |
