8GKD

Crystal structure of the peptidoglycan O-acetylesterase Ape1 (amino acids 41-392) from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	94.905, 94.905, 102.741
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.860 - 1.800
Rwork	0.166
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.100	0.057	0.798
Rmeas	0.110	0.063	0.890
Rpim	0.045	0.026	0.386
Total number of observations	546678
Number of reflections	95429	4754	4803
<I/σ(I)>	5.5
Completeness [%]	99.7	98.9	99.7
Redundancy	5.7	5.9	5.1
CC(1/2)		0.997	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM CAPS pH 10.5, 200 mM NaCl, 16% (w/v) PEG8000, 2.5% (w/v) PEG3350