7PHU

PfRH5 bound to monoclonal antibody R5.015 and R5.016 Fab fragments

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	2017-07-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	97.740, 163.300, 176.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 2.530
R-factor	0.2379
Rwork	0.236
R-free	0.27590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0r
RMSD bond length	0.009
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (24-FEB-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.220	2.570
High resolution limit [Å]	2.530	2.530
Number of reflections	316074	16521
<I/σ(I)>	13.1
Completeness [%]	99.6
Redundancy	6.7
CC(1/2)	0.999	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M sodium formate, 0.1 M bis-tris propane pH 6.5, 20 % PEG 3350 with an additive containing 0.08 % w/v Ellipticine, 0.20 % w/v Protamine sulfate salt, 0.20 % w/v D-(+)-Trehalose dihydrate, 0.20 % w/v 6-Phosphogluconic acid trisodium salt, 0.20 % w/v D-(+)-Glucose, 0.02 M HEPES sodium pH 6.8