6VA7

Crystal structure of glucose-6-phosphate dehydrogenase P396L 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	2019-04-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	157.354, 157.354, 113.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.760 - 3.070
R-factor	0.2036
Rwork	0.203
R-free	0.22470
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]	49.760	49.760	3.260
High resolution limit [Å]	3.070	9.080	3.070
Rmerge	0.114	0.021	1.596
Rmeas	0.119	0.022	1.658
Total number of observations	359866
Number of reflections	27090	1171	4260
<I/σ(I)>	21.94	95.2	1.61
Completeness [%]	99.8	98.8	99.3
Redundancy	13.284	11.61	13.637
CC(1/2)	0.999	1.000	0.647

Crystallization Conditions

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