5TQ5
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-05-01 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.997, 45.106, 52.807 |
| Unit cell angles | 104.11, 110.08, 94.73 |
Refinement procedure
| Resolution | 27.310 - 2.300 |
| R-factor | 0.28227 |
| Rwork | 0.279 |
| R-free | 0.33246 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.359 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.100 |
| Number of reflections | 11921 |
| <I/σ(I)> | 6.5 |
| Completeness [%] | 90.0 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Hepes, pH 7.5, 0.1 M sodium acetate, 30% PEG-3350 |
