8TVN
IRAK4 in complex with compound 23
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 | P 1 21 1 |
Unit cell lengths | 74.920, 94.180, 98.920 |
Unit cell angles | 90.00, 108.47, 90.00 |
Refinement procedure
Resolution | 47.090 - 1.950 |
R-factor | 0.2079 |
Rwork | 0.206 |
R-free | 0.24250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.422 |
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 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 180277 | 29255 |
<I/σ(I)> | 10.58 | |
Completeness [%] | 96.3 | |
Redundancy | 1.81 | |
CC(1/2) | 0.999 | 0.558 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium Malonate |