31WA
Crystal structure of the HPK1 kinase domain in complex with inhibitor 5b
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.668, 67.670, 63.102 |
| Unit cell angles | 90.00, 95.22, 90.00 |
Refinement procedure
| Resolution | 40.910 - 1.420 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.910 | 1.544 |
| High resolution limit [Å] | 1.416 | 1.416 |
| Number of reflections | 40891 | 2046 |
| <I/σ(I)> | 10.4 | 1.2 |
| Completeness [%] | 65.2 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.998 | 0.480 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 9 % PEG 8000, 0.01 M propionate-cacodylate-bis-tris (PCTP) pH 8.5 |
