8TX0
IRAK4 in complex with compound
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 | 2020-12-18 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.510, 118.910, 139.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.660 - 2.000 |
R-factor | 0.2081 |
Rwork | 0.206 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.032 |
Data reduction software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 96458 | 15584 |
<I/σ(I)> | 10.43 | |
Completeness [%] | 99.3 | |
Redundancy | 3.38 | |
CC(1/2) | 0.998 | 0.561 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | sodium malonate |