6VAQ

Crystal structure of glucose-6-phosphate dehydrogenase V394L 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	2019-07-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	158.973, 158.973, 113.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.740 - 2.950
R-factor	0.2099
Rwork	0.209
R-free	0.22230
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]	39.740	39.740	3.130
High resolution limit [Å]	2.950	8.730	2.950
Rmerge	0.108	0.042	1.102
Rmeas	0.113	0.044	1.145
Total number of observations	406400
Number of reflections	30866	1330	4813
<I/σ(I)>	19.29	52.58	2.11
Completeness [%]	99.7	99.1	98.4
Redundancy	13.167	11.232	13.59
CC(1/2)	0.999	0.999	0.814

Crystallization Conditions

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