8IOM

Crystal structure of the carboxy-terminal channel-forming domain of Colicin Ib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	80
Detector technology	CCD
Collection date	2021-10-28
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	I 41
Unit cell lengths	91.994, 91.994, 113.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.080 - 3.000
R-factor	0.1985
Rwork	0.196
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.544
Data scaling software	HKL-2000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.060
High resolution limit [Å]	2.940	2.940
Rmerge	0.090	0.556
Rmeas	0.101	0.627
Rpim	0.047	0.289
Number of reflections	11040	1107
<I/σ(I)>	9
Completeness [%]	99.9	100
Redundancy	4.6	4.7
CC(1/2)		0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.5	Precipitant: 0.1M sodium chloride, 0.1M sodium HEPES pH7.5, 12% w/v PEG 4000, 0.5 microliter 8mg/ml colicin Ib C domain mix with the same volume precipitant in the drop colicin Ib C domain buffer:20mM sodium, citrate pH5.2, 200mM NaCl