6Y54

Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	52.609, 153.205, 101.051
Unit cell angles	90.00, 91.53, 90.00

Refinement procedure

Resolution	49.740 - 2.670
R-factor	0.213
Rwork	0.210
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kvf 3fo9
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.740	2.760
High resolution limit [Å]	2.670	2.670
Number of reflections	44254	4231
<I/σ(I)>	6.4
Completeness [%]	97.6
Redundancy	3.1
CC(1/2)	0.979	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES pH 5.4, 255 mM KI 25% PEG 4000