4U8M

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	216.564, 216.564, 317.291
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	161.453 - 2.300
R-factor	0.2057
Rwork	0.204
R-free	0.24410
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.008
RMSD bond angle	1.087
Data reduction software	XDS (0.1.29)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	187.550	187.550	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.286	0.067	1.245
Rpim	0.095	0.022	0.409
Total number of observations	2033601	12520	101606
Number of reflections	191862
<I/σ(I)>	7	11.8	2
Completeness [%]	99.7	96	100
Redundancy	10.6	9.6	10.8
CC(1/2)	0.975	0.997	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1.2 - 1.4 M ammonium sulfate and 0.1 M sodium acetate at pH 4.5.