4EH9

Human p38 MAP kinase in complex with NP-F11 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	2012-02-14
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	65.620, 74.920, 78.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.740 - 2.100
R-factor	0.2316
Rwork	0.229
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.012
RMSD bond angle	1.278
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000		2.200
High resolution limit [Å]	2.100	10.000	2.100
Rmerge	0.037	0.021	0.391
Number of reflections	23132	253	2923
<I/σ(I)>	18.94	50.52	3.46
Completeness [%]	99.1	98.4	98.4
Redundancy	3.66

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