8U2W

Glucose-6-phosphate 1-dehydrogenase (G6PDH) from Crithidia fasciculata (NADP 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	2023-05-08
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	121.332, 123.258, 162.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.870 - 2.350
R-factor	0.2167
Rwork	0.215
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4933: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.470	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.117	1.911
Rmeas	0.121	1.988
Rpim	0.033	0.544
Total number of observations	694617	49526
Number of reflections	50896	3733
<I/σ(I)>	13.7	1.6
Completeness [%]	100.0
Redundancy	13.6	13.3
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	Berkeley H8: 30% (w/v) PEG 4000, 100 mM Sodium acetate / Hydrochloric acid pH 4.6, 200 mM Ammonium acetate. CrfaA.01031.a.HZ1.PW39196 at 19.7 mg/mL. plate 13383 well H8 drop 2. Puck: PSL-1713, Cryo: Direct. 2mM NADPH and BG6 added prior to crystallization. No BG6 bound and NADPH is partially disordered.