3D7Z

Crystal Structure of P38 Kinase in Complex with a biphenyl amide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.630, 86.103, 124.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.177
Rwork	0.174
R-free	0.22700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1wfc
RMSD bond length	0.015
RMSD bond angle	1.431
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.3.0006)
Refinement software	REFMAC (5.3.0006)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.111	0.573
Number of reflections	29415
<I/σ(I)>	10.4	2.3
Completeness [%]	99.6	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	Authors suggest to see publication for details, pH 6.5, VAPOR DIFFUSION, temperature 293K