1WBW

Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Detector	MSC
Spacegroup name	P 21 21 21
Unit cell lengths	45.291, 86.025, 126.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.110 - 2.410
R-factor	0.201
Rwork	0.197
R-free	0.27300
Structure solution method	OTHER
RMSD bond length	0.014
RMSD bond angle	1.404
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	DENCOR
Refinement software	REFMAC (5.2.0003A)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.110
High resolution limit [Å]	2.410
Rmerge	0.130
Number of reflections	18684
<I/σ(I)>	6.2
Completeness [%]	78.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00