9D5P
Crystal structure of the ILK/alpha-parvin core complex bound to erlotinib
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 | 2016-06-23 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.265, 118.294, 47.568 |
| Unit cell angles | 90.00, 101.46, 90.00 |
Refinement procedure
| Resolution | 26.370 - 1.500 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.20990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.969 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.043 | 0.310 |
| Number of reflections | 73634 | 3629 |
| <I/σ(I)> | 40.5 | 5.2 |
| Completeness [%] | 96.4 | 94.3 |
| Redundancy | 5.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Bis-Tris Propane, PEG 5000 MME, 1-propanol, erlotinib, DMSO |
