8VXE

Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99997
Spacegroup name	P 21 21 21
Unit cell lengths	66.124, 74.341, 78.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.460 - 1.850
R-factor	0.2228
Rwork	0.218
R-free	0.28853
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.359
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.460	49.460	2.100
High resolution limit [Å]	1.850	9.850	1.850
Rmerge	0.028	0.023	0.460
Rmeas	0.033	0.029	0.534
Number of reflections	32652	231	10006
<I/σ(I)>	24.04
Completeness [%]	97.4
Redundancy	3.7
CC(1/2)	0.999	0.997	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	277	10% PEG6000, 0.1 MES/NaOH pH 5.0