9GBE
Structure of Human Anaplastic Lymphoma Kinase (ALK) harboring the G1202R/L1196M Compound Mutation in Complex with NVL-655
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.525, 57.198, 105.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.610 - 1.580 |
| R-factor | 0.1863 |
| Rwork | 0.183 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.455 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.615 | 1.606 |
| High resolution limit [Å] | 1.578 | 1.578 |
| Number of reflections | 43503 | 14849 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.999 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-22% (w/v) PEG3350 pH 7.5 |
