7OO2

Crystal structure of an antibody targeting the capsular polysaccharide of serogroup X Neisseria meningitidis (MenX)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	83.012, 85.349, 123.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.490 - 2.160
R-factor	0.215
Rwork	0.213
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m1g
RMSD bond length	0.004
RMSD bond angle	0.714
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.160	2.160
Rmerge	0.063	1.174
Rmeas	0.066	1.219
Number of reflections	47671	7559
<I/σ(I)>	23.09	1.99
Completeness [%]	99.9	99.1
Redundancy	13.6	13.7
CC(1/2)	1.000	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.2 M potassium thiocyanate 0.1 M Bis-Tris propane at pH 6.5 20% PEG 3350 (F4 < PACT Premier HT screen Molecular Dimensions)