4U8N

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A complexed with UDP

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	218.522, 218.522, 321.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.659 - 2.300
R-factor	0.1772
Rwork	0.176
R-free	0.20910
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utg
RMSD bond length	0.008
RMSD bond angle	1.069
Data reduction software	XDS (0.1.27)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.660	48.660	2.340
High resolution limit [Å]	2.300	12.580	2.300
Rmerge	0.177	0.041	1.411
Rpim	0.043	0.010	0.347
Total number of observations	3594406	20361	157717
Number of reflections	198868
<I/σ(I)>	14.3	33.7	2.3
Completeness [%]	99.8	98.1	96.1
Redundancy	18.1	14.7	16.8
CC(1/2)	0.998	0.999	0.710

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.