10GW

Crystal structure of tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxydans in complex with 6-phosphogluconate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033167
Spacegroup name	P 1
Unit cell lengths	54.118, 79.241, 86.533
Unit cell angles	102.17, 97.00, 99.40

Refinement procedure

Resolution	41.610 - 2.000
R-factor	0.1951
Rwork	0.194
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.928
Data reduction software	XDS (0.86)
Data scaling software	Aimless (0.8.2)
Phasing software	MOLREP (11.9.02)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.610	2.020
High resolution limit [Å]	2.000	2.000
Rmerge	0.069	1.040
Rmeas	0.081	1.223
Rpim	0.043	0.637
Number of reflections	90117	2909
<I/σ(I)>	9.56	1.14
Completeness [%]	97.4	96.19
Redundancy	3.5	3.6
CC(1/2)	0.998	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291.15	0.1 M BIS-TRIS at pH 6.5 and 28% w/v polyethylene glycol monomethyl ether 2,000.