7MTL

Crystal structure of colibactin self-resistance protein ClbS in complex with a dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	42.783, 75.878, 178.326
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.793 - 2.446
R-factor	0.2335
Rwork	0.231
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6anr
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.793	2.533
High resolution limit [Å]	2.446	2.446
Number of reflections	22255	2168
<I/σ(I)>	11.79	1.44
Completeness [%]	99.9	98.77
Redundancy	6.6
CC(1/2)	0.998	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium acetate trihydrate pH 7.0, 20% (w/v) PEG 3350