4V0G
JAK3 in complex with a covalent EGFR inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.140, 99.032, 111.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.920 - 3.000 |
R-factor | 0.25359 |
Rwork | 0.252 |
R-free | 0.29465 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.989 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.920 | 3.240 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.140 | 0.440 |
Number of reflections | 13200 | |
<I/σ(I)> | 4.8 | 1.7 |
Completeness [%] | 99.7 | 99.1 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |