2WOT
ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-24 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.933, 78.218, 89.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.270 - 1.850 |
| R-factor | 0.18098 |
| Rwork | 0.179 |
| R-free | 0.22134 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.500 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.370 |
| Number of reflections | 25080 | |
| <I/σ(I)> | 7.9 | 1.98 |
| Completeness [%] | 97.8 | 87.9 |
| Redundancy | 3.53 | 1.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | SITTING DROP METHOD. DROPS PROTEIN-PRECIPITANT 1-1, PROTEIN: 10MG/ML ALK5, PRECIPITANT: 20-30% PEG8K, 100 MM PCTP BUFFER PH 8.5-9.2, 0.2 M NAAC |
