3MVL

P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-28
Detector	RIGAKU SATURN 92
Spacegroup name	P 1 21 1
Unit cell lengths	67.540, 71.680, 72.820
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	33.770 - 2.800
R-factor	0.2326
Rwork	0.227
R-free	0.33490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.9.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.750	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.041	0.124
Number of reflections	17200
<I/σ(I)>	31.5	12
Completeness [%]	99.5	97.2
Redundancy	4.2	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1