1ZYJ

Human P38 MAP Kinase in Complex with Inhibitor 1a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	67.760, 70.920, 75.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 2.000
R-factor	0.26
Rwork	0.243
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kv2
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.216
Number of reflections	24702
Completeness [%]	97.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	10-20% PEG 4000, 0.1 M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K