7FC7

Acyl-Coenzyme A Binding Protein 96 (LMJ_17_0780) of Leishmania Major in complex with Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-12-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.979490
Spacegroup name	P 31 2 1
Unit cell lengths	44.376, 44.376, 77.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.420 - 2.200
R-factor	0.271
Rwork	0.269
R-free	0.32500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7des
RMSD bond length	0.002
RMSD bond angle	0.476
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.670	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.032	0.910
Number of reflections	6348	456
<I/σ(I)>	30.4	2.1
Completeness [%]	99.9	99.5
Redundancy	8.4
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289.15	50mM Sodium Acetate buffer pH 4.5, 200mM Sodium chloride, 10mM Magnesium chloride, 30% PEG 3350