8TLB

Crystal structure of the peptidoglycan O-acetyltransferase B (PatB) from Campylobacter jejuni, catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 61
Unit cell lengths	55.830, 55.830, 136.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.350 - 1.900
R-factor	0.1647
Rwork	0.163
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (1.14_3260)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.350	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.099	0.708
Rmeas	0.101	0.725
Rpim	0.022	0.157
Number of reflections	18944	1893
<I/σ(I)>	28.39	9.23
Completeness [%]	100.0	100
Redundancy	20.4	21.4
CC(1/2)	0.999	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	100 mM HEPES:NaOH pH 7.5, 200 mM NaCl, 25% (w/v) poly(ethylene glycol) 3500