3LFC

Human p38 MAP Kinase in Complex with RL99

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-06-24
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.54170
Spacegroup name	P 21 21 21
Unit cell lengths	67.220, 69.090, 74.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.540 - 2.800
R-factor	0.242
Rwork	0.234
R-free	0.32600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.008
RMSD bond angle	1.261
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (1.3.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.065	0.460
Number of reflections	8602
<I/σ(I)>	21.5	3.82
Completeness [%]	95.7	96.7
Redundancy	3.32	3.31

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