4IRF

Preliminary structural investigations of a malarial protein secretion system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	77
Detector technology	PIXEL
Collection date	2012-12-09
Detector	PSI PILATUS 6M
Spacegroup name	P 2 21 21
Unit cell lengths	31.780, 92.080, 96.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.780 - 1.650
R-factor	0.216
Rwork	0.214
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iod
RMSD bond length	0.018
RMSD bond angle	1.904
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.780	1.670
High resolution limit [Å]	1.645	1.650
Rmerge		0.509
Number of reflections	35144
<I/σ(I)>	15	2.7
Completeness [%]	99.1	94.9
Redundancy	8.2	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9.4	273	PEG 3350 20%, 0.1M CAPSO pH 9.4, 10% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, temperature 273K