7OEY

Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.68880
Spacegroup name	C 1 2 1
Unit cell lengths	172.400, 55.040, 84.370
Unit cell angles	90.00, 108.69, 90.00

Refinement procedure

Resolution	45.880 - 1.350
R-factor	0.1371
Rwork	0.136
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zx4
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.880	45.880	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.056	0.034	0.795
Rmeas	0.064	0.039	0.896
Total number of observations	732213
Number of reflections	160849	1666	11909
<I/σ(I)>	11.85	28.06	2
Completeness [%]	97.8	85.7	98.1
Redundancy	4.552	4.38	4.683
CC(1/2)	0.998	0.996	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG8000, Sodium citrate, sodium phosphate