4EHZ
The Jak1 kinase domain in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.712, 172.175, 88.035 |
Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.174 |
R-factor | 0.1741 |
Rwork | 0.171 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_648)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.250 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.100 | 0.373 |
Number of reflections | 63591 | |
<I/σ(I)> | 13.5 | 3.2 |
Completeness [%] | 95.7 | 87.6 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |