3GI3

Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	65.010, 74.140, 74.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
Rwork	0.230
R-free	0.28950
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Number of reflections	14351
Completeness [%]	98.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	298	16% PEG4000, 0.1 M Citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K