7ZHY

Leishmania donovani Glucose 6-Phosphate Dehydrogenase C138S mutant complexed with NADP(H)

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	2020-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	223.170, 65.690, 119.930
Unit cell angles	90.00, 120.75, 90.00

Refinement procedure

Resolution	47.950 - 1.990
R-factor	0.187
Rwork	0.183
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292122100
RMSD bond length	0.019
RMSD bond angle	1.072
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]	47.960	2.100
High resolution limit [Å]	1.990	2.000
Number of reflections	102119	10084
<I/σ(I)>	12.3	1.2
Completeness [%]	99.6
Redundancy	3.5
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	10 % PEG 3000 and 100-150 mM ammonium sulfate