9GV3

Crystal structure of the complex between Nb474 mutant R53A,D125A and Trypanosoma congolense fructose-1,6-bisphosphate aldolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.6702
Spacegroup name	P 21 21 2
Unit cell lengths	203.495, 111.166, 123.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.558 - 1.751
Rwork	0.160
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.224
Data reduction software	xia2
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.558	1.915
High resolution limit [Å]	1.750	1.751
Rmerge	0.117	1.058
Rmeas	0.135
Rpim	0.055	0.525
Number of reflections	999301	43767
<I/σ(I)>	9.2	1.6
Completeness [%]	87.6	64.8
Redundancy	5.1	4.4
CC(1/2)	0.998	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	sodium cacodylate pH 6.5, 100mM, PEG 8K 10-15%, 200mM magnesium acetate.