8XN7
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL17B |
Synchrotron site | NFPSS |
Beamline | BL17B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.865, 76.997, 89.754 |
Unit cell angles | 90.00, 93.91, 90.00 |
Refinement procedure
Resolution | 44.770 - 2.650 |
R-factor | 0.2159 |
Rwork | 0.214 |
R-free | 0.23020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nfy |
RMSD bond length | 0.008 |
RMSD bond angle | 0.909 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.770 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 17275 | 1750 |
<I/σ(I)> | 22.9 | |
Completeness [%] | 94.8 | |
Redundancy | 6.4 | |
CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M sodium chloride, 0.1 M Tris, 8%(w/v)PEG 20000, pH=8.0 |