3C5U

P38 ALPHA map kinase complexed with a benzothiazole based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-29
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	80.400, 80.400, 225.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.260 - 2.800
R-factor	0.2625
Rwork	0.261
R-free	0.29590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.763
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	BUSTER-TNT (2.1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.098	0.585
Number of reflections	17473
<I/σ(I)>	16.4	1.5
Completeness [%]	91.7	51.2
Redundancy	7.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1