8I40

Crystal structure of ASCT from Trypanosoma brucei in complex with CoA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.90000
Spacegroup name	P 21 21 21
Unit cell lengths	59.789, 165.146, 188.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.790
R-factor	0.22632
Rwork	0.223
R-free	0.28406
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.960
High resolution limit [Å]	2.790	2.790
Rmerge	0.219	0.739
Rpim	0.219	0.811
Number of reflections	46801	7331
<I/σ(I)>	8.2	2.3
Completeness [%]	98.6	97.2
Redundancy	6.6	5.5
CC(1/2)	0.990	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.05M HEPES-NAOH BUFFER PH 7.4, 18% (W/V) PEG 3350, 0.35M CaCl2