1W7H

p38 Kinase crystal structure in complex with small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	CCD
Detector	MSC
Spacegroup name	P 21 21 21
Unit cell lengths	45.771, 87.101, 126.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.663 - 2.214
R-factor	0.1828
Rwork	0.183
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1P38
RMSD bond length	0.005
RMSD bond angle	0.837
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	19.660
High resolution limit [Å]	2.200
Rmerge	0.060
Number of reflections	25916
<I/σ(I)>	11.1
Completeness [%]	94.4
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00