6TDG

Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	277
Detector technology	PIXEL
Collection date	2017-08-31
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	C 2 2 21
Unit cell lengths	70.210, 101.200, 56.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.690 - 1.740
R-factor	0.192
Rwork	0.190
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vez
RMSD bond length	0.013
RMSD bond angle	1.895
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.700	1.770
High resolution limit [Å]	1.740	1.740
Number of reflections	20528	26623
<I/σ(I)>	16.2	2.3
Completeness [%]	97.0
Redundancy	4.6
CC(1/2)	0.990	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	1. 10% peg 1000, 10% peg 8000 2. 30% peg 1500