6LP1

Crystal structure of acetate:succinate CoA transferase (ASCT) from Trypanosoma brucei.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	59.886, 164.635, 187.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.970 - 2.010
R-factor	0.22797
Rwork	0.225
R-free	0.27867
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dlx
RMSD bond length	0.010
RMSD bond angle	1.546
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	2.130
High resolution limit [Å]	2.010	2.010
Rmerge	0.107	0.564
Number of reflections	123547	37706
<I/σ(I)>	11.3	2.5
Completeness [%]	98.7	97.3
Redundancy	5.2
CC(1/2)	0.996	0.698

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