7ZHZ

Leishmania donovani Glucose 6-Phosphate Dehydrogenase mutant C138S complexed with G6P and 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	218.160, 66.020, 120.020
Unit cell angles	90.00, 120.73, 90.00

Refinement procedure

Resolution	48.750 - 2.500
R-factor	0.2541
Rwork	0.249
R-free	0.29790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292122100
RMSD bond length	0.003
RMSD bond angle	0.665
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]	48.800	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	51043	5069
<I/σ(I)>	12
Completeness [%]	99.4
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, 100-150 mM ammonium sulfate