4FK6
JAK1 kinase (JH1 domain) in complex with compound 72
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.248, 169.966, 43.805 |
Unit cell angles | 90.00, 90.51, 90.00 |
Refinement procedure
Resolution | 43.250 - 2.200 |
R-factor | 0.2113 |
Rwork | 0.209 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b7a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.200 |
Number of reflections | 31252 |
<I/σ(I)> | 14 |
Completeness [%] | 99.7 |
Redundancy | 3.4 |
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 |