6XEQ

Crystal structure of the tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxidans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458660
Spacegroup name	P 21 21 21
Unit cell lengths	87.061, 125.675, 166.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.260 - 3.200
R-factor	0.2477
Rwork	0.246
R-free	0.28590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e21
RMSD bond length	0.002
RMSD bond angle	0.445
Data reduction software	XDS
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.260	3.370
High resolution limit [Å]	3.200	3.200
Rmerge	0.092	0.327
Rmeas	0.130	0.462
Rpim	0.092	0.327
Number of reflections	30273	3938
<I/σ(I)>	6.7	2.3
Completeness [%]	98.3	89.2
Redundancy	1.9	1.9
CC(1/2)	0.978	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	2 M (NH4)2SO4 and 5% (v/v) 2-propanol