7ZXG

Pfs48/45 bound to Fab fragment of monoclonal antibody 10D8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.92819
Spacegroup name	P 21 2 21
Unit cell lengths	81.771, 125.803, 216.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.360 - 4.200
R-factor	0.261
Rwork	0.259
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h5n
RMSD bond length	0.003
RMSD bond angle	0.642
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.270	4.700
High resolution limit [Å]	4.200	4.200
Rpim	0.088	0.668
Number of reflections	109594	31747
<I/σ(I)>	7.5
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.998	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	10 % (w/v) PEG 1000 and 10% (w/v) PEG 8000