5AAC
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 87 |
Detector technology | CCD |
Collection date | 2015-05-15 |
Detector | MARRESEARCH RAYONIX 300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.541, 57.449, 104.787 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.660 - 1.700 |
R-factor | 0.208 |
Rwork | 0.207 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xp2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.800 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | CNX |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.060 | 0.890 |
Number of reflections | 39562 | |
<I/σ(I)> | 24.9 | 3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6 | 6.1 |
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. |