7SA6

fHbp mutant 2416 bound to Fab JAR5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	170
Detector technology	PIXEL
Collection date	2020-05-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	148.990, 66.360, 105.370
Unit cell angles	90.00, 93.43, 90.00

Refinement procedure

Resolution	19.930 - 2.900
R-factor	0.2507
Rwork	0.249
R-free	0.28990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t5f
RMSD bond length	0.003
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.930	3.003
High resolution limit [Å]	2.900	2.900
Rmerge	0.136	1.366
Number of reflections	22479	2240
<I/σ(I)>	9.15
Completeness [%]	97.5
Redundancy	9.15
CC(1/2)	0.993	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium Citrate pH 5 15% w/v PEG 4000 0.1 M Magnesium Chloride