8GFQ

Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Fv32r inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	I 2 3
Unit cell lengths	176.669, 176.669, 176.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 2.300
R-factor	0.1796
Rwork	0.178
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cf9
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.161	0.078	2.058
Rmeas	0.168	0.081	2.149
Rpim	0.049	0.024	0.616
Total number of observations	471964
Number of reflections	40529	4191	4017
<I/σ(I)>	5.7
Completeness [%]	100.0	100	100
Redundancy	11.6	11.1	12.1
CC(1/2)		0.998	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	293	0.1 M sodium citrate pH 5.9 and 26% (v/v) PEG 600. Protein buffer was 10 mM HEPES pH 8.0, 200 mM ammonium acetate