7OPM

Phosphorylated ERK2 in complex with ORF45

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	210.094, 41.149, 51.701
Unit cell angles	90.00, 92.35, 90.00

Refinement procedure

Resolution	47.120 - 2.450
R-factor	0.237
Rwork	0.235
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2erk
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.120	47.120	2.550
High resolution limit [Å]	2.450	8.830	2.450
Rmerge	0.123	0.071	1.307
Rmeas	0.131	0.075	1.395
Rpim	0.045	0.025	0.478
Total number of observations	140097	3105	15361
Number of reflections	16460	374	1829
<I/σ(I)>	10.1	28.7	1.5
Completeness [%]	99.3	96.9	99
Redundancy	8.5	8.3	8.4
CC(1/2)	0.997	0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	0.1M Tris pH 8.3, 20% PEG 8000 with 1.25 M NaCl in reservoir