4FNX
Crystal structure of the apo R1275Q anaplastic lymphoma kinase catalytic domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9774 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.628, 57.543, 105.885 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.430 - 1.700 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.188 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.047 | 0.031 | 0.354 |
Number of reflections | 34469 | ||
<I/σ(I)> | 17 | ||
Completeness [%] | 96.9 | 99.2 | 78.8 |
Redundancy | 4.5 | 4.7 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 18% PEG 5000 monomethyl ether, 100 mM ammonium sulfate, 5 mM dithiothreitol, 100 mM MES (pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 277K |