2X2M
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
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 | 2007-08-03 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 50.697, 50.760, 74.588 |
Unit cell angles | 103.50, 99.66, 89.92 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.20327 |
Rwork | 0.201 |
R-free | 0.24162 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ivt FLEXIBLE LOOPS REMOVED |
RMSD bond length | 0.014 |
RMSD bond angle | 1.562 |
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] | 18.990 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.040 | 0.110 |
Number of reflections | 23524 | |
<I/σ(I)> | 11.9 | 6.6 |
Completeness [%] | 95.4 | 93.9 |
Redundancy | 2.2 | 2.21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | PROTEIN 4.5 MG/ML IN 20 MM TRIS-HCL PH 8, 100MM NACL, 1MM DTT, 1MM EDTA RESERVOIR 1.75 M SODIUM FORMATE, 0.1 SODIUM CITRATE PH 5.5, 0.15 M POTASSIUM THIOCYANATE VAPOUR DIFFUSION, SITTING DROP, 289 K |