8RQX

Erk2 MAP kinase R65S+T188D - AMP-PNP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9655
Spacegroup name	P 1 21 1
Unit cell lengths	48.663, 70.050, 59.605
Unit cell angles	90.00, 109.25, 90.00

Refinement procedure

Resolution	43.870 - 1.700
R-factor	0.19903
Rwork	0.197
R-free	0.23071
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.689
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.870	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	40432	2148
<I/σ(I)>	12.7	1.2
Completeness [%]	97.1
Redundancy	2.5
CC(1/2)	0.970	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium hepes pH=7, 4% v/v PEG 400 and 2M ammonium sulfate