6OJB

Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9996
Spacegroup name	P 21 21 21
Unit cell lengths	44.891, 48.174, 163.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.127 - 2.093
R-factor	0.172
Rwork	0.168
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oj1
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.130	2.170
High resolution limit [Å]	2.090	2.090
Rmerge	0.124	0.752
Rmeas	0.134	0.812
Rpim	0.049	0.303
Number of reflections	21680	2108
<I/σ(I)>	11.25	2.24
Completeness [%]	99.8	98.64
Redundancy	7.2	7
CC(1/2)	0.997	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2 M calcium acetate, 0.1 M 2-(N-morpholino)ethanesulfonic acid (MES) pH 6.0 and 20 % (v/v) PEG 8000