8PSR

ERK2 covalently bound to SynthRevD-12-opt artificial peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	62.130, 62.130, 214.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.030 - 1.850
R-factor	0.1831
Rwork	0.182
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.030	8.270	1.900
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.183	0.084	1.710
Rmeas	0.188	0.086	1.754
Number of reflections	39751	823	2928
<I/σ(I)>	12.04
Completeness [%]	99.7
Redundancy	20
CC(1/2)	0.998	0.997	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1M Na-citrate pH 5.5, 20% PEG 8000