5AAA
Structure of L1198F Mutant Human 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] | 87 |
Detector technology | PIXEL |
Collection date | 2015-06-24 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.471, 57.281, 104.702 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.350 - 1.730 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xp2 |
RMSD bond length | 0.004 |
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] | 104.700 | 1.850 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.040 | 0.330 |
Number of reflections | 29735 | |
<I/σ(I)> | 23.7 | 2.8 |
Completeness [%] | 89.7 | 58.2 |
Redundancy | 5.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 286 | HANGING DROP VAPOR DIFFUSION AT 13 DEGREES C. 2 MICROLITERS OF PURIFIED PROTEIN SOLUTION (11-15 MG/ML) CONTAINING INHIBITOR COMPOUND AT A 2X STOICHIOMETRY OF INHIBITOR TO PROTEIN WERE COMBINED WITH 2 MICROLITERS OF SOLUTIONS CONTAINING: 0.2 M LITHIUM SULFATE, 17-21% PEG3350 AND 0.1M TRIS PH 7.6-8.5. |