2IVU
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor ZD6474
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-12-06 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.409, 71.420, 78.834 |
Unit cell angles | 90.00, 101.23, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE PART-REFINED STRUCTURE OF RET KINASE DOMAIN |
RMSD bond length | 0.015 |
RMSD bond angle | 1.614 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.300 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.160 |
Number of reflections | 13506 | |
<I/σ(I)> | 9.6 | 4.6 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | PROTEIN 3 MG/ML IN 20 MM TRIS-HCL PH 8.0, 100MM NACL, 1MM DTT, 1MM EDTA, 1MM SODIUM VANADATE RESERVOIR 2.2 M SODIUM FORMATE, 0.1M SODIUM ACETATE PH 4.5 VAPOUR DIFFUSION, SITTING DROP, 289 K |