7ZWI

Pfs48/45 C-terminal domain bound to fab fragment of monoclonal antibody 32F3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	78.659, 87.104, 110.620
Unit cell angles	90.00, 99.54, 90.00

Refinement procedure

Resolution	77.570 - 1.900
R-factor	0.1903
Rwork	0.189
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h5n
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (20-APR-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.570	1.930
High resolution limit [Å]	1.900	1.900
Rpim	0.037	0.282
Number of reflections	781771	36476
<I/σ(I)>	11.6
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.04M potassium dihydrogen phosphate, 16% (w/v) polyethylene glycol (PEG) 8000 and 20 % (v/v) glycerol