4QP1

Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine

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]	93
Detector technology	CCD
Collection date	2008-04-30
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	82.808, 82.808, 274.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.325 - 2.700
R-factor	0.2058
Rwork	0.203
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.656
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.700
Number of reflections	27253
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	10% PEG3350, 0.2 M proline, and 0.1 M HEPES pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K