8DOZ

Protective antibody against gonococcal lipooligosaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11
Spacegroup name	P 1
Unit cell lengths	40.000, 50.610, 106.210
Unit cell angles	92.13, 86.78, 82.26

Refinement procedure

Resolution	52.970 - 1.700
R-factor	0.1778
Rwork	0.177
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rco (homology model)
RMSD bond length	0.010
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.140	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.044	0.859
Rmeas	0.052	0.997
Rpim	0.027	0.027
Number of reflections	294917	26592
<I/σ(I)>	19.4	2.1
Completeness [%]	91.6	83.8
Redundancy	3.6	3.5
CC(1/2)	0.990	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.085 M Na HEPES, 8.5% (v/v) 2-propanol, 17 % (w/v) PEG 4,000, 15% (v/v) glycerol