5IUH
Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-26 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.290, 56.575, 103.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.526 - 2.100 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.22080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.876 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 4.510 | 2.100 |
Rmerge | 0.054 | 0.031 | 0.351 |
Rmeas | 0.063 | 0.036 | 0.408 |
Rpim | 0.031 | 0.018 | 0.204 |
Total number of observations | 67092 | ||
Number of reflections | 17870 | ||
<I/σ(I)> | 14.1 | ||
Completeness [%] | 96.2 | 98.8 | 91.9 |
Redundancy | 3.8 | 3.9 | 3.7 |
CC(1/2) | 0.998 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 277 | 18% PEG 2000 MME, 0.1 M Tris-HCl pH 8.6 |