8HDD

Complex structure of catalytic, small, and a partial electron transfer subunits from Burkholderia cepacia FAD glucose dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	204.015, 71.797, 114.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.880 - 3.000
R-factor	0.27778
Rwork	0.275
R-free	0.32335
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a2u
RMSD bond length	0.002
RMSD bond angle	1.135
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.080
High resolution limit [Å]	3.000	13.420	3.000
Rmerge	0.165	0.030	0.732
Rmeas	0.179	0.033	0.791
Number of reflections	34334	447	2443
<I/σ(I)>	10.34
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.998	1.000	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5.6	293	tacsimate, PEG 3350, DDM, sodium citrate