7S0X

Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	84.060, 70.502, 105.960
Unit cell angles	90.00, 100.23, 90.00

Refinement procedure

Resolution	41.360 - 2.800
R-factor	0.2275
Rwork	0.225
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.003
RMSD bond angle	0.654
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rpim	0.141	0.619
Number of reflections	30400	1420
<I/σ(I)>	5.6	1.1
Completeness [%]	98.5	91.4
Redundancy	2.9	2.6
CC(1/2)	0.849	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293.15	20% isopropanol, 20% PEG4000, 0.1 M sodium citrate, pH 5.6