7Z35

Crystal structure of PEX13 SH3 domain of Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 65 2 2
Unit cell lengths	52.481, 52.481, 113.969
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.450 - 2.300
R-factor	0.2455
Rwork	0.245
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4afz
RMSD bond length	0.014
RMSD bond angle	1.953
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.450	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.097
Number of reflections	4552	444
<I/σ(I)>	21.45
Completeness [%]	99.6	99.33
Redundancy	18
CC(1/2)	1.000	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.8M Ammonium Sulphate, 0.1 Bis-Tris, pH 5.5