4FOB
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.624, 57.525, 105.521 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.760 - 1.900 |
| R-factor | 0.2035 |
| Rwork | 0.200 |
| R-free | 0.25490 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.257 |
| 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] | 30.000 | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.071 | 0.042 | 0.604 |
| Number of reflections | 25396 | ||
| <I/σ(I)> | 13.2 | ||
| Completeness [%] | 99.5 | 97.8 | 97.9 |
| Redundancy | 5.3 | 5.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 30% PEG 5000 monomethyl ether, 200 mM ammonium sulfate, 2 mM dithiothreitol, 100 mM MES (pH 6.5) - 1:200 (w/w) chymotrypsin:ALK, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
