4U8K

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A

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	216.190, 216.190, 318.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	121.363 - 2.200
R-factor	0.1753
Rwork	0.174
R-free	0.20700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.007
RMSD bond angle	1.061
Data reduction software	XDS (0.1.29)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	159.380	159.380	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.138	0.025	0.864
Rpim	0.060	0.011	0.388
Total number of observations	1289710	8064	62163
Number of reflections	219305
<I/σ(I)>	10	24.8	2.1
Completeness [%]	99.7	94.4	100
Redundancy	5.9	5.5	5.8
CC(1/2)	0.995	0.999	0.715

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.