7UGB

Crystal structure of rat ERK2 complexed with docking peptide from ISG20

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	45.888, 66.679, 116.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.970 - 1.900
R-factor	0.1815
Rwork	0.179
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fmq
Data reduction software	HKL-2000 (721.2)
Data scaling software	HKL-2000 (721.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.127	0.069	1.244
Rmeas	0.130	0.070	1.284
Rpim	0.026	0.014	0.308
Total number of observations	692189
Number of reflections	29145	3132	2866
<I/σ(I)>	6.6
Completeness [%]	100.0	100	100
Redundancy	23.7	24.5	15.4
CC(1/2)		0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10 % PEG 4000, 0.1 M HEPES [pH 7.5] and 5 % Isopropanol