3FKO

P38 kinase crystal structure in complex with RO3668

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	45.288, 86.613, 123.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.310 - 2.000
R-factor	0.21643
Rwork	0.214
R-free	0.25271
Structure solution method	SAD
Starting model (for MR)	1P38
RMSD bond length	0.007
RMSD bond angle	1.021
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	DM
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.000	2.110
High resolution limit [Å]	2.000	2.000
Number of reflections	32964
<I/σ(I)>		1.7
Completeness [%]	98.3
Redundancy	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	290	50 mM Hepes pH 7.6, 50 mM CaCl2, 17% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 290K