9D5H
Crystal structure of the ILK mutant (R371Q)/alpha-parvin core complex bound to gefitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-07-01 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.154, 118.355, 47.452 |
| Unit cell angles | 90.00, 100.82, 90.00 |
Refinement procedure
| Resolution | 30.260 - 1.500 |
| R-factor | 0.1968 |
| Rwork | 0.195 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.044 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.064 | 0.590 |
| Number of reflections | 73604 | 3608 |
| <I/σ(I)> | 43.32 | 3.13 |
| Completeness [%] | 99.2 | 95 |
| Redundancy | 4.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 277 | Bis-Tris Propane, PEG3350, 1-propanol, gefitinib, and DMSO |
