8ZJV

Crystal Structure of the ERK2 complexed with 5-Iodotubercidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	96.979, 96.979, 95.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.520 - 1.800
R-factor	0.1915
Rwork	0.190
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ax3
RMSD bond length	0.006
RMSD bond angle	0.798
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.520	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.128	2.026
Number of reflections	48367	4796
<I/σ(I)>	16.67
Completeness [%]	99.7	99.4
Redundancy	15.1	15.5
CC(1/2)	0.999	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.2 M Lithium Sulfate monohydrate, 0.1 M Bis-Tris pH 5.5, 25% w/v Polyethylene Glycol 3350