3GCV

Human P38 MAP Kinase in Complex with RL62

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-02-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54170
Spacegroup name	P 21 21 21
Unit cell lengths	67.785, 70.003, 74.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.880 - 2.300
R-factor	0.199
Rwork	0.196
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zyj
RMSD bond length	0.013
RMSD bond angle	1.472
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.256
Number of reflections	16273	1930
<I/σ(I)>	17.06	6.3
Completeness [%]	99.7	99.8
Redundancy	4.63	4.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	100 mM MES, 20-30% PEG4000, 50 mM n-BOG, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K