8FSQ

Complex Structure of YejA with Microcin C7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-10
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	90.643, 103.293, 144.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.980 - 1.760
R-factor	0.2406
Rwork	0.242
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.938
Data reduction software	HKL-2000
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.000	1.820
High resolution limit [Å]	1.760	1.760
Number of reflections	65020	64957
<I/σ(I)>	44.9
Completeness [%]	99.7
Redundancy	9.5
CC(1/2)	0.999	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282.15	90 mM BIS-TRIS pH 6.5, 15% (w/v) PEG MME 5000, and 0.5% (w/v) n-dodecyl-beta-D-maltoside