7OPT

Crystal structure of Trypanosoma cruzi peroxidase

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	2019-12-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	71.615, 71.615, 253.289
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.000 - 2.020
Rwork	0.160
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3riv
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.020	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.080	1.400
Number of reflections	50314	3670
<I/σ(I)>	19
Completeness [%]	99.7
Redundancy	19.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	ammonium sulfate, sodium acetate