4IVD
JAK1 kinase (JH1 domain) in complex with compound 34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-08-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.795, 173.608, 44.629 |
Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.930 |
R-factor | 0.20377 |
Rwork | 0.202 |
R-free | 0.24696 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fk6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.125 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.930 |
Number of reflections | 48317 |
<I/σ(I)> | 12 |
Completeness [%] | 99.6 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 300 | MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |