3BX5

P38 alpha map kinase complexed with BMS-640994

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-21
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 21
Unit cell lengths	65.650, 74.360, 78.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.230 - 2.400
R-factor	0.2287
Rwork	0.224
R-free	0.32010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.760
Data reduction software	HKL-2000 ((DENZO))
Data scaling software	HKL-2000 ((SCALEPACK))
Refinement software	BUSTER-TNT (2.1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.230	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.062	0.418
Number of reflections	14132
<I/σ(I)>	25.7	2.9
Completeness [%]	89.7	97.7
Redundancy	6.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1