3IPH

Crystal structure of p38 in complex with a biphenylamide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-11-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.753, 85.688, 125.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.184
Rwork	0.181
R-free	0.24900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1wfc
RMSD bond length	0.013
RMSD bond angle	1.610
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.102	0.542
Number of reflections	25525
<I/σ(I)>	7.2
Completeness [%]	86.1	86.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.1M ADA, 0.18M (NH4)2SO4, 18-20% PEG5000MME, 3-4% Jeffamine ED600, 2mM b-Mercaptoethanol. , pH 6.5, VAPOR DIFFUSION, temperature 293K