6VA9

Crystal structure of glucose-6-phosphate dehydrogenase R393H 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	157.435, 157.435, 113.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 3.950
R-factor	0.1927
Rwork	0.191
R-free	0.22020
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]	47.600	47.600	4.190
High resolution limit [Å]	3.950	11.530	3.950
Rmerge		0.060	1.944
Rmeas		0.063	2.021
Number of reflections	12952	585	2035
<I/σ(I)>	7.39	24.2	1.59
Completeness [%]	99.8	97.8	99.5
Redundancy	12.9	9.638	13.423
CC(1/2)	0.995	0.999	0.702

Crystallization Conditions

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