7TLV

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

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	2017-01-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97828
Spacegroup name	H 3 2
Unit cell lengths	145.170, 145.170, 79.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.210 - 1.500
R-factor	0.204577890638
Rwork	0.204
R-free	0.22162
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.805
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]	49.210	1.240
High resolution limit [Å]	1.200	1.200
Number of reflections	485015	79513
<I/σ(I)>	9.84
Completeness [%]	99.0
Redundancy	6.1
CC(1/2)	0.998	0.091

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The 2.08 M ammonium sulfate in 0.1 M phosphate-citrate buffer