9CJ2

Dual phosphorylated human p38 alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 2.0.1
Synchrotron site	ALS
Beamline	2.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03096
Spacegroup name	P 2 21 21
Unit cell lengths	45.595, 96.296, 220.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.040 - 2.830
R-factor	0.2815
Rwork	0.280
R-free	0.30830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.612
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	2.970
High resolution limit [Å]	2.820	2.820
Rmerge	0.138
Rmeas	0.151
Rpim	0.061
Number of reflections	26902	2606
<I/σ(I)>	7.8	0.8
Completeness [%]	99.6	98.04
Redundancy	6.2	6
CC(1/2)	0.996	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	8mg/mL phosphorylated p38 alpha set at a 1:1 ratio with 100 mM MES pH 6.5, 200 mM ammonium sulfate, 4% 1,3-Propanediol, and 30% PEG8000