4EOY

Plasmodium falciparum Atg8 in complex with Plasmodium falciparum Atg3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-20
Detector	PSI PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	33.300, 111.080, 57.090
Unit cell angles	90.00, 92.58, 90.00

Refinement procedure

Resolution	20.000 - 2.220
R-factor	0.20839
Rwork	0.205
R-free	0.27965
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	20 models (15 PDB 5 predicted) as ensemble using phenix.automr
RMSD bond length	0.008
RMSD bond angle	1.197
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (Phaser)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.060	2.240
High resolution limit [Å]	2.220	2.180
Rmerge	0.215	0.918
Number of reflections	17965
<I/σ(I)>	7.28	1.6
Completeness [%]	83.4	45
Redundancy	2.07	2.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1 M MES pH 6.5, 0.1 M Ca(OAc)2, 20% w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1 M MES pH 6.5, 0.1 M Ca(OAc)2, 20% w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 295K