7E75

Crystal structure of human ERK2 mutant (G37C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	93
Detector technology	CCD
Collection date	2020-08-03
Detector	ADSC QUANTUM 210
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	48.820, 70.536, 60.243
Unit cell angles	90.00, 109.40, 90.00

Refinement procedure

Resolution	29.970 - 2.481
Rwork	0.184
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ERK
RMSD bond length	0.009
RMSD bond angle	0.993
Data reduction software	HKL-2000 (715)
Data scaling software	HKL-2000 (715)
Phasing software	PHENIX (1.16-3549)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.970	2.570
High resolution limit [Å]	2.481	2.481
Rmerge	0.097	0.237
Rmeas	0.117	0.291
Rpim	0.064	0.167
Number of reflections	13017	1333
<I/σ(I)>	8.82	2.73
Completeness [%]	94.4	96.87
Redundancy	2.9	2.6
CC(1/2)	0.989	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.1M HEPES/MOPS pH 7.5, 20% (v/v) PEGMME 550, 10% (w/v) PEG 20000, 20mM D-glycine, 20mM D-lysine