4ANS
Structure of L1196M,G1269A Double 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] | 87 |
Detector technology | PIXEL |
Collection date | 2011-10-17 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.516, 57.399, 105.067 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.530 - 1.850 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xp2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.800 |
Data reduction software | autoPROC |
Data scaling software | SCALAVIS |
Phasing software | CNX |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.070 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.040 | 0.430 |
Number of reflections | 26466 | |
<I/σ(I)> | 23.5 | 3.7 |
Completeness [%] | 96.9 | 82.1 |
Redundancy | 5.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 286 | CRYSTALS WERE GROWN BY THE HANGING DROP VAPOR DIFFUSION METHOD AT 13 DEGRESS CELSIUS BY MIXING 2 MICROLITERS OF PROTEIN SOLUTION WITH A RESERVOIR SOLUTION CONTAINING: 18% (W/V) PEG 3350, 0.1 M TRIS PH 8.5, 0.2M LITHIUM SULFATE, 0.1(W/V) BETA-OCTYLGLCOSIDE. |