9DCM

Sucrose-phosphate synthase from Leishmania major

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953729
Spacegroup name	P 41 3 2
Unit cell lengths	216.895, 216.895, 216.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.760 - 3.110
R-factor	0.179
Rwork	0.176
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	17.033
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5109: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.760	3.270
High resolution limit [Å]	3.110	3.110
Rmerge	0.346	1.600
Rpim	0.039	0.186
Number of reflections	59252	4515
<I/σ(I)>	21.7	4.6
Completeness [%]	99.8	98.8
Redundancy	78	72.6
CC(1/2)	0.998	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	18 -22% PEG3350, 100 mM Bis-Tris pH 5.5 and 200 mM MgCl2