2ONL

Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer

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]	95
Spacegroup name	P 41
Unit cell lengths	103.150, 103.150, 231.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.340 - 4.000
R-factor	0.315
Rwork	0.314
R-free	0.33100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2okr 1kwp
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	BUSTER-TNT (V. 1.1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.320	4.140
High resolution limit [Å]	4.000	4.000
Rmerge	0.153	0.368
Number of reflections	19566
<I/σ(I)>	5.1	2.1
Completeness [%]	95.8	95.8
Redundancy	2.79	2.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	3.75% Peg 2000, 100mM Hepes, Prior to crystallization, 1-s-nonyl-1-b-D-thioglucoside (1xcmc) and heptanetriol (1.5%) was added to the protein sample, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50