8UCB
IRAK4 in complex with compound 8
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 | 2018-09-26 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.620, 140.850, 87.530 |
Unit cell angles | 90.00, 125.70, 90.00 |
Refinement procedure
Resolution | 48.310 - 1.850 |
R-factor | 0.209 |
Rwork | 0.207 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.756 |
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 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 205214 | 33434 |
<I/σ(I)> | 7.78 | |
Completeness [%] | 89.6 | |
Redundancy | 1.92 | |
CC(1/2) | 0.997 | 0.573 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | sodium malonate |