7TJB

Structure of Neisseria gonorrhoeae peptidoglycan O-acetyltransferase B (PatB)

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	2017-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	H 3 2
Unit cell lengths	144.900, 144.900, 80.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.829 - 1.300
R-factor	0.167431382176
Rwork	0.166
R-free	0.18863
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 7TLV
RMSD bond length	0.005
RMSD bond angle	0.764
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.830	1.220
High resolution limit [Å]	1.190	1.190
Number of reflections	78745	102048
<I/σ(I)>	17.4	0.61
Completeness [%]	100.0
Redundancy	10.5
CC(1/2)	0.999	0.203

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	2.08 M ammonium sulfate in 0.1 M phosphate-citrate buffer