4FNW
Crystal structure of the apo F1174L anaplastic lymphoma kinase catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.823, 57.467, 105.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.870 - 1.750 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.20350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.187 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.067 | 0.037 | 0.571 |
| Number of reflections | 32378 | ||
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 4.4 | 4.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG 5000 monomethyl ether, 200 mM ammonium sulfate, 5 mM dithiothreitol, 100 mM MES (pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
