8FUY

Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (citrate bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	121.510, 124.906, 161.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.550 - 2.450
R-factor	0.204
Rwork	0.203
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.990	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.097	1.528
Rmeas	0.101	1.595
Rpim	0.030	0.454
Total number of observations	528095	40453
Number of reflections	45597	3324
<I/σ(I)>	15.8	2.1
Completeness [%]	100.0
Redundancy	11.6	12.2
CC(1/2)	0.999	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	20% PEG3350, 0.2M diammonium citrate, 0.1M citrate. Tray: Liu-S-062 well C9, Puck: PSL1007, Cryo: 20% PEG 200 + 80% crystallant