6I82
Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.675, 80.336, 79.740 |
| Unit cell angles | 90.00, 99.87, 90.00 |
Refinement procedure
| Resolution | 45.890 - 2.050 |
| R-factor | 0.17871 |
| Rwork | 0.176 |
| R-free | 0.22928 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ivs |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.645 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.890 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.080 | 0.470 |
| Number of reflections | 38208 | 2324 |
| <I/σ(I)> | 7.5 | 1.3 |
| Completeness [%] | 96.4 | 75 |
| Redundancy | 3.1 | 2.1 |
| CC(1/2) | 1.000 | 0.730 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M sodium citrate pH 4.5-5.5, 2.0 M sodium formate drop size 500 nl + 500 nl RET at 3 mg/ml in 20 mM Tris pH 8.0, 100 mM NaCl, 1 mM DTT |
