4QP6

Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine

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	2008-10-25
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	82.533, 82.533, 275.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.273 - 3.100
R-factor	0.2147
Rwork	0.213
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.847
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	3.100	3.100
Number of reflections	18239
Completeness [%]	100.0	100

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, in a 24-well Linbro plates incubated at 4C, VAPOR DIFFUSION, HANGING DROP, temperature 277K