9D5E
Crystal structure of the ILK/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 | 2015-12-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.260, 118.418, 47.606 |
| Unit cell angles | 90.00, 101.16, 90.00 |
Refinement procedure
| Resolution | 20.380 - 1.500 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.000 |
| 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 | 0.067 | 0.380 |
| Number of reflections | 75887 | 3810 |
| <I/σ(I)> | 45 | 7.3 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 0.1 M Bis-Tris PRopane, 12% PEG2000 MME, 5% 1-Propanol |
