5AA8
Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 87 |
| Detector technology | PIXEL |
| Collection date | 2015-04-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.673, 57.248, 104.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.460 - 1.860 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4clj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.800 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | CNX |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.930 | 2.010 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.080 | 0.510 |
| Number of reflections | 26219 | |
| <I/σ(I)> | 14.5 | 2.6 |
| Completeness [%] | 97.4 | 87.6 |
| Redundancy | 6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | pH 8 |
