2YFX
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 98 |
Detector technology | PIXEL |
Collection date | 2010-04-12 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.721, 57.174, 105.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.040 - 1.700 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xp2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | CNX |
Refinement software | CNS (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.250 | 1.660 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.050 | 0.340 |
Number of reflections | 43152 | |
<I/σ(I)> | 18.3 | 2 |
Completeness [%] | 98.2 | 91.5 |
Redundancy | 6.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 286 | HANGING DROP VAPOR DIFFUSION AT 13 DEGREES C. EQUAL VOLUMES OF PURIFIED PROTEIN SOLUTION (APPROXIMATELY 7 MG/ML)CONTAINING 0.8 MM CRIZOTINIB WERE COMBINED WITH A SOLUTION CONTAINING: 0.15 M AMMONIUM SULFATE, 10% MONOMETHYLETHER PEG5K AND 0.1M MES PH 5.6. |