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