6GG2

The structure of FsqB from Aspergillus fumigatus, a flavoenzyme of the amine oxidase family

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.95
Spacegroup name	P 65 2 2
Unit cell lengths	90.123, 90.123, 266.278
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.062 - 2.598
R-factor	0.2138
Rwork	0.212
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dje
RMSD bond length	0.004
RMSD bond angle	0.812
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.083	0.785
Rmeas	0.086	0.812
Rpim	0.022	0.204
Number of reflections	20505	1862
<I/σ(I)>	24.2
Completeness [%]	98.9	92.7
Redundancy	15.4	15.1
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.26 M ammonium sulphate, 0.2 M lithium sulphate, 0.1 M TrisHCL, pH 8.5 protein concentrations of 10, 20 and 30 mg mL-1 in 100 mM phosphate/NaOH pH 7.8 and 150 mM NaCl