4MZL

Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	49.040, 58.650, 59.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.668 - 2.010
Rwork	0.192
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.106
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.670	41.670	2.120
High resolution limit [Å]	2.010	6.350	2.010
Rmerge	0.092	0.048	0.220
Number of reflections	21734
<I/σ(I)>	8.6	12.8	5
Completeness [%]	96.6	96.1	95
Redundancy	4.9	4.9	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Reservoir solution: 0.2M MgCl2.(H2O)6 20% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K