9K2H

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 BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	80
Detector technology	CCD
Collection date	2021-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 41
Unit cell lengths	90.742, 90.742, 113.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.700 - 3.110
R-factor	0.2002
Rwork	0.198
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.909
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.21.1_5286)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.700	3.210
High resolution limit [Å]	3.110	3.110
Rmerge	0.109	0.904
Rmeas	0.116	0.712
Rpim	0.055	0.356
Number of reflections	8332	8299
<I/σ(I)>	16.3	2.4
Completeness [%]	99.7	98.7
Redundancy	4.8	2.5
CC(1/2)	0.857	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	1% Nucleosides mix (2% w/v Cytidine, 2% w/v Inosine, 2% w/v Ribavirin, 2% w/v Thymidine, 2% w/v Uridine) 0.1M Buffer system 1(Imidazole; MES monohydrate (acid)) 30% precipitant mix(40% v/v Glycerol; 20% w/v PEG 4000)