7RXJ

Fab236 in complex with the C-terminal alpha-TSR 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	C 1 2 1
Unit cell lengths	130.137, 45.564, 201.087
Unit cell angles	90.00, 94.04, 90.00

Refinement procedure

Resolution	42.240 - 2.345
R-factor	0.2193
Rwork	0.217
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
RMSD bond length	0.006
RMSD bond angle	0.752
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.345	2.345
Rpim	0.055	0.254
Number of reflections	46380	1678
<I/σ(I)>	13.7	1.6
Completeness [%]	96.7	71.1
Redundancy	5.2	3.1
CC(1/2)	0.946	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	30% PEG2000 MME, 0.2 M ammonium sulfate, 0.1 M acetate, pH 4.6