4FNZ
Crystal structure of human anaplastic lymphoma kinase in complex with piperidine-carboxamide inhibitor 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.496, 58.059, 105.046 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.530 - 2.600 |
R-factor | 0.202 |
Rwork | 0.198 |
R-free | 0.26070 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.209 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.142 | 0.061 | 0.638 |
Number of reflections | 10173 | ||
<I/σ(I)> | 5.7 | ||
Completeness [%] | 99.5 | 99.9 | 95.2 |
Redundancy | 6.5 | 6.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 18% PEG 5000 monomethyl ether, 200 mM ammonium sulfate, 5 mM dithiothreitol, 100 mM MES (pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 277K |