8U8J

Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.100, 76.660, 151.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.560 - 2.100
R-factor	0.1798
Rwork	0.177
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.859
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.210
High resolution limit [Å]	2.100	2.100
Rpim	0.063	0.139
Number of reflections	25654	2959
<I/σ(I)>	6.53	2.2
Completeness [%]	86.7	70
Redundancy	5.65	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	36% PEG 3350, 0.1M Tris pH 9.0