6X44

High Resolution Crystal Structure Analysis of SERA5 proenzyme from plasmodium falciparum

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]	100
Detector technology	PIXEL
Collection date	2013-07-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03930
Spacegroup name	P 2 2 21
Unit cell lengths	77.665, 78.937, 178.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.550 - 2.197
R-factor	0.181419861428
Rwork	0.180
R-free	0.21369
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wbf
RMSD bond length	0.011
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.550	2.276
High resolution limit [Å]	2.197	2.197
Rmerge	0.116	0.917
Rmeas	0.125	0.985
Rpim	0.046	0.355
Number of reflections	56459	5430
<I/σ(I)>	11.56
Completeness [%]	99.1	97.12
Redundancy	7.3	7.5
CC(1/2)	0.998	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	293	LiSO4, Tris-HCl, PEG-4000