5YYZ

Crystal structure of the MEK1 FHA domain in complex with the HOP1 pThr318 peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	80.640, 38.183, 54.418
Unit cell angles	90.00, 94.97, 90.00

Refinement procedure

Resolution	33.701 - 1.798
R-factor	0.1897
Rwork	0.188
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g6g
RMSD bond length	0.006
RMSD bond angle	0.794
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.860
High resolution limit [Å]	1.798	3.880	1.800
Rmerge	0.061	0.040	0.547
Rmeas	0.066	0.043	0.596
Rpim	0.025	0.016	0.234
Number of reflections	15415	1586	1522
<I/σ(I)>	5.6
Completeness [%]	99.1	98.3	98.6
Redundancy	6.6	6.5	6.2
CC(1/2)		0.998	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Lithium Citrate tribasic tetrahydrate, 20% w/v PEG 3350