4U8I

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97916
Spacegroup name	P 65 2 2
Unit cell lengths	217.126, 217.126, 320.348
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.388 - 2.050
R-factor	0.184
Rwork	0.182
R-free	0.21390
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.007
RMSD bond angle	1.031
Data scaling software	Aimless (0.1.29)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.390	48.390	2.090
High resolution limit [Å]	2.050	11.230	2.050
Rmerge	0.145	0.039	1.081
Rpim	0.058	0.016	0.455
Total number of observations	1970641	11268	87007
Number of reflections	273170
<I/σ(I)>	9	19.3	2.1
Completeness [%]	99.5	92.5	99.9
Redundancy	7.2	6.5	6.5
CC(1/2)	0.994	0.998	0.640

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.