4YNU

Crystal structure of Aspergillus flavus FADGDH in complex with D-glucono-1,5-lactone

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	49.658, 64.877, 75.889
Unit cell angles	90.00, 100.46, 90.00

Refinement procedure

Resolution	39.020 - 1.570
R-factor	0.1419
Rwork	0.141
R-free	0.16420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cf3
RMSD bond length	0.007
RMSD bond angle	1.123
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	1.600
High resolution limit [Å]	1.570	4.260	1.570
Rmerge	0.059	0.030	0.480
Total number of observations	242808
Number of reflections	65992
<I/σ(I)>	10.6
Completeness [%]	99.9	99.9	97.6
Redundancy	3.7	3.7	3

Crystallization Conditions

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