8UCC
IRAK4 in complex with compound 20
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 | 2020-07-17 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 88.632, 118.025, 140.017 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.990 - 1.800 |
R-factor | 0.2099 |
Rwork | 0.208 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.341 |
Data reduction software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.240 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 68053 | 3993 |
<I/σ(I)> | 16.7 | |
Completeness [%] | 99.9 | |
Redundancy | 6.6 | |
CC(1/2) | 0.990 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | sodium malonate |