5N66

Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2015-08-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	66.750, 74.000, 79.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.565 - 2.400
R-factor	0.2078
Rwork	0.206
R-free	0.23770
Starting model (for MR)	4dli
RMSD bond length	0.003
RMSD bond angle	0.540
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.400	2.400
Rmeas	0.139	1.256
Number of reflections	15879
<I/σ(I)>	11.41	1.95
Completeness [%]	100.0	100
Redundancy	13	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	100 mM MES pH 5.6-6.2 20-30 % PEG4000 50 mM BOG