7DES

Acyl-Coenzyme A Binding Protein 103 (LMJF_17_0620) of Leishmania Major

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	2018-03-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.979490
Spacegroup name	I 1 2 1
Unit cell lengths	46.946, 36.996, 58.611
Unit cell angles	90.00, 104.02, 90.00

Refinement procedure

Resolution	22.770 - 1.450
R-factor	0.1664
Rwork	0.165
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ijm
RMSD bond length	0.005
RMSD bond angle	0.771
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]	40.680	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.033	0.524
Number of reflections	17287	978
<I/σ(I)>	19.2	2.2
Completeness [%]	99.0	99.9
Redundancy	3.9
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	20% (w/v) PEG 3350, 0.2M Magnesium formate dihydrate