5TQ4
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 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97620 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 38.884, 103.964, 190.977 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.300 |
| R-factor | 0.24895 |
| Rwork | 0.247 |
| R-free | 0.27920 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.239 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.130 |
| Number of reflections | 22322 |
| <I/σ(I)> | 11.4 |
| Completeness [%] | 99.0 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Hepes, pH 7.5, 0.1 M sodium acetate, 30% PEG-3350 |
