4W9X
Crystal Structure of BMP-2-inducible kinase in complex with baricitinib
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 | 2014-07-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 42.310, 111.410, 163.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.120 - 2.140 |
| R-factor | 0.18932 |
| Rwork | 0.187 |
| R-free | 0.22949 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.451 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 21713 | |
| <I/σ(I)> | 9.6 | 2.1 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 2.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 4M sodium chloride, 0.1M bis-Tris pH 5.5, freshly purified protein |
