3LFB

Human p38 MAP Kinase in Complex with RL98

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-02
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.54170
Spacegroup name	P 21 21 21
Unit cell lengths	67.120, 69.890, 74.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.840 - 2.600
R-factor	0.236
Rwork	0.230
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.009
RMSD bond angle	1.253
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.3.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.053	0.315
Number of reflections	11150	1171
<I/σ(I)>	23.94	5.1
Completeness [%]	99.2	99.7
Redundancy	3.71	3.72

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, 20-30% PEG4000, 50 mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K