8TVM
IRAK4 in complex with compound 24
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 | C 1 2 1 |
Unit cell lengths | 136.380, 141.980, 87.780 |
Unit cell angles | 90.00, 126.37, 90.00 |
Refinement procedure
Resolution | 48.520 - 2.100 |
R-factor | 0.2225 |
Rwork | 0.221 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.876 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 145187 | 23404 |
<I/σ(I)> | 9.12 | |
Completeness [%] | 93.3 | |
Redundancy | 1.86 | |
CC(1/2) | 0.998 | 0.588 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium Malonate |