7NRZ

Crystal structure of malate dehydrogenase from 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	2020-12-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	80.040, 148.331, 251.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.319 - 2.600
R-factor	0.2038
Rwork	0.203
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dfd
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.319	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	91983	8774
<I/σ(I)>	15.18	1.6
Completeness [%]	98.9	95.83
Redundancy	11.8	10.3
CC(1/2)	0.998	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	10% w/v PEG 8000, 20% v/v ethylene glycol, 30 mM Sodium nitrate, 30 mM Sodium Phosphate 30 mM Ammonium Sulphate, 0.1 M bicine/Trizma pH 8.5