8YD9

Crystal structure of p38alpha with an allosteric inhibitor 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	45.785, 85.643, 126.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 1.660
R-factor	0.1627
Rwork	0.160
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.958
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.610	1.760
High resolution limit [Å]	1.660	1.660
Number of reflections	59663	59663
<I/σ(I)>	8.34
Completeness [%]	99.0
Redundancy	5
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	anmonium acetate, HEPES, PEG 3350