1W82

p38 Kinase crystal structure in complex with small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	45.684, 85.369, 126.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.710 - 2.200
R-factor	0.174
Rwork	0.171
R-free	0.23500
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	1.479
Refinement software	REFMAC (5.2.0003A)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.090
Number of reflections	25791
<I/σ(I)>	5.6
Completeness [%]	92.6
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1