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Crystal Structure of the MEK1 FHA domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97736
Spacegroup name	P 32 2 1
Unit cell lengths	61.666, 61.666, 61.078
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.204 - 1.684
R-factor	0.1847
Rwork	0.183
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g6g
RMSD bond length	0.006
RMSD bond angle	0.906
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.720
High resolution limit [Å]	1.680	4.140	1.680
Rmerge	0.082	0.051	0.589
Rmeas	0.084	0.053	0.606
Rpim	0.019	0.012	0.140
Total number of observations	303239
Number of reflections	15632	1134	936
<I/σ(I)>	4.7
Completeness [%]	99.4	100	91.1
Redundancy	19.4	17.9	18.3
CC(1/2)		0.999	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2% PEG8000, 0.1M Imidazole malate pH7.5, 1.0M Lithium sulfate