6KC4

Crystal structure of human Fer SH2 domain bound to a phosphopeptide (DEpYENVD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	34.700, 186.661, 50.580
Unit cell angles	90.00, 96.96, 90.00

Refinement procedure

Resolution	25.867 - 1.370
R-factor	0.1657
Rwork	0.165
R-free	0.18550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2kk6
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.870	25.870	1.390
High resolution limit [Å]	1.370	7.500	1.370
Rmerge	0.044	0.041	0.116
Rmeas	0.052	0.049	0.143
Rpim	0.028	0.027	0.082
Total number of observations	409258	2736	16283
Number of reflections	130076	813	5919
<I/σ(I)>	14.8	26.7	6.5
Completeness [%]	97.7	97	89.8
Redundancy	3.1	3.4	2.8
CC(1/2)	0.997	0.986	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	HEPES, sodium chloride, PEG 3350