4EH3

Human p38 MAP kinase in complex with NP-F2 and RL87

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2010-07-03
Detector	PSI PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	65.710, 74.700, 77.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.670 - 2.400
R-factor	0.2189
Rwork	0.216
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.015
RMSD bond angle	1.461
Data scaling software	XSCALE
Phasing software	PHASER (1.3.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000		2.500
High resolution limit [Å]	2.400	10.000	2.400
Rmerge	0.054	0.027	0.346
Number of reflections	15486	251	1750
<I/σ(I)>	24.92	49	7.02
Completeness [%]	99.9	98.4	100
Redundancy	8.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM MES, 19-24% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K