5V60

Phospho-ERK2 bound to AMP-PCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-05
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.757, 78.516, 152.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.600 - 2.180
R-factor	0.1925
Rwork	0.191
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2erk
RMSD bond length	0.009
RMSD bond angle	1.339
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.600	28.600	2.250
High resolution limit [Å]	2.180	8.990	2.180
Rmerge	0.076	0.042	0.926
Rmeas	0.083	0.046	0.996
Rpim	0.031	0.018	0.364
Total number of observations	192125
Number of reflections	26555
<I/σ(I)>	15.5
Completeness [%]	98.3	96.9	98.4
Redundancy	7.2	6	7.2
CC(1/2)	0.999	0.999	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1 M Bis-Tris pH 6.5, 45% v/v polypropylene glycol P400