1LEW

CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	90
Detector technology	CCD
Collection date	2001-02-02
Detector	APS-1
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	81.873, 81.873, 123.016
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.235
Rwork	0.215
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.300 *	2.260
Rmerge	0.130	0.450 *
Number of reflections	22800 *
<I/σ(I)>	8.7	2.6
Completeness [%]	99.9	100
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	289	PEG 8000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	dithiothreitol	4 (mM)
2	1	reservoir	PEG8000	20 (%)
3	1	reservoir	HEPES	0.1 (M)	pH7.5