6QYX

p38(alpha) MAP kinase with the activation loop of ERK2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	68.860, 74.500, 75.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.950 - 1.660
R-factor	0.18774
Rwork	0.185
R-free	0.24233
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	p38 wild type
RMSD bond length	0.017
RMSD bond angle	1.804
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.950	1.720
High resolution limit [Å]	1.660	1.660
Number of reflections	46102
<I/σ(I)>	9.8
Completeness [%]	99.1
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M HEPES pH 7.5, 0.2 M KF, 13%-17% (w/v) PEG 3350, 25 mM beta-D-octyl glucoside (bOG)