4YNT

Crystal structure of Aspergillus flavus FAD glucose dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.907, 64.359, 76.166
Unit cell angles	90.00, 101.43, 90.00

Refinement procedure

Resolution	48.750 - 1.780
R-factor	0.1556
Rwork	0.153
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cf3
RMSD bond length	0.006
RMSD bond angle	1.028
Data reduction software	SCALEPACK
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.071	0.054	0.462
Total number of observations	143309
Number of reflections	45130
<I/σ(I)>	15.2		2.4
Completeness [%]	99.0	99.7	93.4
Redundancy	3.2	3.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M BisTris, 20-25 % PEG 3350