6A6U

Crystal structure of the modified fructosyl peptide oxidase from Aspergillus nidulans with R61G mutation, in complex with FSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	72.922, 72.922, 160.053
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.755 - 1.945
R-factor	0.175
Rwork	0.174
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a6r
RMSD bond length	0.010
RMSD bond angle	1.583
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.945	1.950
Rmerge	0.077	0.461
Number of reflections	36930	1828
<I/σ(I)>	44.2
Completeness [%]	99.8
Redundancy	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.4	293	1.75 M ammonium sulfate, 0.2 M lithium sulfate, 0.08 M CAPS (N-cyclohexyl-3-aminopropanesulfonic acid) buffer (pH 10.4)