9NA5

IRAK4 in Complex with Compound 24

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99999
Spacegroup name	I 1 2 1
Unit cell lengths	87.261, 141.638, 111.259
Unit cell angles	90.00, 93.56, 90.00

Refinement procedure

Resolution	48.500 - 1.730
R-factor	0.1902
Rwork	0.188
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.911
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	1.790
High resolution limit [Å]	1.730	1.730
Number of reflections	139999	13919
<I/σ(I)>	12.09
Completeness [%]	99.3
Redundancy	3.4
CC(1/2)	1.000	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2.15 M ammonium sulfate, 100 mM Hepes-NaOH at pH 7.0