4MZK

Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-25
Detector	PSI PILATUS 6M
Wavelength(s)	0.97900
Spacegroup name	P 21 21 21
Unit cell lengths	37.980, 55.030, 75.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.915 - 1.820
Rwork	0.180
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4aom
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	XDS
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]	37.980	37.980	1.870
High resolution limit [Å]	1.820	8.140	1.820
Rmerge	0.069	0.024	0.780
Number of reflections	14865
<I/σ(I)>	26.2	77	3.8
Completeness [%]	100.0	99.3	99.9
Redundancy	12.9	9.9	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Reservoir solution: 200 mM ammonium acetate, 10 mM magnesium acetate, 50 mM sodium cacodylate trihydrate, 30 % PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K