8SBH

YeiE effector binding domain from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-19
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	71.098, 71.098, 196.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.800 - 1.930
R-factor	0.1669
Rwork	0.166
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.065	0.034	0.444
Rmeas	0.078	0.041	0.534
Rpim	0.043	0.022	0.291
Number of reflections	38819	2025	1892
<I/σ(I)>	7.6
Completeness [%]	99.5	91.7	99.9
Redundancy	3.2	3	3.2
CC(1/2)		0.997	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	298	YeiE-EBD was dialyzed into 20 mM TRIS, 10 mM mercaptolethanol, pH 8.0 . 2 mcl protein was mixed with 2 mcl Hampton Research Index cocktail 30 HR-IN-30 (0.1 M sodium chloride, 0.1 M BIS-TRIS pH 6.5, 1.5 M ammonium sulfate)