8C79

Crystal structure of Leishmania donovani 6-Phosphogluconate Dehydrogenase complexed with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.870, 117.350, 128.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.070 - 3.100
R-factor	0.2672
Rwork	0.262
R-free	0.31720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pgj
RMSD bond length	0.002
RMSD bond angle	0.525
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	3.210
High resolution limit [Å]	3.100	3.100
Number of reflections	18692	1841
<I/σ(I)>	9.9
Completeness [%]	99.6
Redundancy	5.1
CC(1/2)	0.998	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24% PEG 3000, 40 mM magnesium formate