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 |