4U1G

Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1

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	2014-04-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 2 21 21
Unit cell lengths	65.120, 137.300, 228.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.570 - 3.100
R-factor	0.238
Rwork	0.236
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u0r 1i7z 2zn9
RMSD bond length	0.010
RMSD bond angle	1.320
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.240	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.049	0.380
Number of reflections	36313
<I/σ(I)>	9.2	2.3
Completeness [%]	95.5	96.3
Redundancy	4.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.12 M mix of 1,6-hexanediol, 1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-propanediol. 0.1 M MES-imidazole (pH 6.5) 20% (w/v) PEG 550 MM 10% (w/v) PEG 20,000