5O14

Co-crystal structure of a cross-reactive bactericidal human antibody targeting meningococcal vaccine antigen factor H binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977175
Spacegroup name	P 1 21 1
Unit cell lengths	42.822, 163.951, 110.656
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	48.913 - 2.195
R-factor	0.1943
Rwork	0.192
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ypv 4YPG and 4JQI
RMSD bond length	0.006
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.920	48.920	2.240
High resolution limit [Å]	2.195	10.750	2.200
Rmerge	0.219	0.054	1.388
Rmeas	0.242	0.060	1.580
Rpim	0.101	0.025	0.737
Number of reflections	74270
<I/σ(I)>	6.7
Completeness [%]	96.4	97.8	68.1
Redundancy	5.6	5.3	4.3
CC(1/2)	0.987	0.998	0.263

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	0.2 M sodium malonate pH 4.0, 17% PEG 3350