5O0W

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	120.820, 188.870, 126.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.226 - 2.570
R-factor	0.1938
Rwork	0.192
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f2j
RMSD bond length	0.003
RMSD bond angle	0.653
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.226	2.660
High resolution limit [Å]	2.570	2.570
Rmeas	0.180	1.496
Number of reflections	92520	9072
<I/σ(I)>	11.25	1.39
Completeness [%]	99.6	99.15
Redundancy	6.88	7.11
CC(1/2)	0.995	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM sodium cacodylate pH 6.5, 200 mM magnesium acetate, 10% PEG 8000