6VA8

Crystal structure of glucose-6-phosphate dehydrogenase F381L mutant in complex with catalytic NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	158.620, 158.620, 113.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.960 - 3.950
R-factor	0.2068
Rwork	0.206
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e08
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.960	47.960	4.190
High resolution limit [Å]	3.950	11.550	3.950
Rmerge		0.041	1.591
Rmeas		0.044	1.671
Number of reflections	13187	590	2068
<I/σ(I)>	8.31	32.44	1.55
Completeness [%]	99.6	97	99.2
Redundancy	10.16	8.434	10.808
CC(1/2)	0.995	0.999	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	MES, magnesium chloride, PEG3350, NADP