5K4I

Crystal Structure of ERK2 in complex with compound 22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	93
Detector technology	CCD
Collection date	2015-05-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	43.668, 71.333, 119.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.016 - 1.760
R-factor	0.1835
Rwork	0.181
R-free	0.23170
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.760
Number of reflections	37976
<I/σ(I)>	34.5
Completeness [%]	99.6
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	277	10% PEG3350, 0.2 M proline, 0.1 M HEPES pH 7.5