6YJC

Crystal structure of p38alpha in complex with SR154

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-25
Detector	MAR CCD 130 mm
Wavelength(s)	0.89429
Spacegroup name	P 21 21 21
Unit cell lengths	69.140, 70.290, 75.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.300 - 1.741
R-factor	0.203212349275
Rwork	0.202
R-free	0.23656
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lar
RMSD bond length	0.004
RMSD bond angle	0.725
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.300	1.840
High resolution limit [Å]	1.740	1.740
Rmerge	0.069	0.509
Number of reflections	37702	5295
<I/σ(I)>	11.3	2.6
Completeness [%]	99.0	97.2
Redundancy	5.1	4.9
CC(1/2)	0.995	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	15% medium MW PEG SMEAR, 0.1 M MES, pH 6.0