8GEZ

Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8036 inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	I 2 3
Unit cell lengths	176.757, 176.757, 176.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.460 - 1.990
R-factor	0.1894
Rwork	0.188
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.460	2.050
High resolution limit [Å]	1.990	1.990
Rmerge	0.085	1.000
Number of reflections	62220	4488
<I/σ(I)>	26.2
Completeness [%]	99.8	97.7
Redundancy	23.1
CC(1/2)	1.000	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	298	0.1 M sodium citrate pH 5.9 and 26% (v/v) PEG 600. Protein buffer was 10mM HEPES pH 8.0, 200mM ammonium acetate