5E1E
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-08-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.095, 88.708, 174.928 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.730 - 2.300 |
R-factor | 0.2265 |
Rwork | 0.225 |
R-free | 0.26830 |
Structure solution method | OTHER |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 87.460 | 2.450 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.110 | 0.678 |
Number of reflections | 30744 | |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 5.8 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT |