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 |