3ZC6
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor
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 | 2010-08-18 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.170, 117.725, 105.831 |
Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
Resolution | 104.890 - 2.420 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.25385 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.206 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC (RIGID BODY) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.890 | 2.510 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.080 | 0.420 |
Number of reflections | 52977 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |