6NFY
Crystal structure of nonphosphorylated, HPK1 kinase domain 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 | 2015-10-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 165.908, 165.908, 163.583 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.780 - 2.170 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.12) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 107.950 | 107.950 | 2.280 |
High resolution limit [Å] | 2.160 | 6.840 | 2.160 |
Rmerge | 0.097 | 0.045 | 0.972 |
Rmeas | 0.103 | 0.048 | 1.024 |
Rpim | 0.033 | 0.016 | 0.320 |
Number of reflections | 46182 | 1554 | 6683 |
<I/σ(I)> | 14.7 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 9.8 | 8.9 | 10.2 |
CC(1/2) | 0.999 | 0.999 | 0.808 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294.15 | 300 nl protein (16 mg/ml) plus 300 nl reservoir solution (4.19 M NaCl, 0.1 M HEPES, pH 6.5) and incubated at 25 C |