4JOA
Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.794, 56.503, 104.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.2529 |
| Rwork | 0.251 |
| R-free | 0.28964 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lcs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.181 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0001) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.080 | 0.473 |
| Number of reflections | 8211 | |
| <I/σ(I)> | 11.1 | 2.6 |
| Completeness [%] | 92.0 | 91.9 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Hepes pH 7.5, 20% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
