4WX1

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A determined from a crystal soaked with UDP-Galactopyranose

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	2014-07-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 65 2 2
Unit cell lengths	217.943, 217.943, 321.122
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	103.192 - 2.200
R-factor	0.1895
Rwork	0.188
R-free	0.22080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utg
RMSD bond length	0.007
RMSD bond angle	1.070
Data scaling software	Aimless (0.3.6)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	162.720	162.720	2.240
High resolution limit [Å]	2.200	12.050	2.200
Rmerge	0.174	0.027	1.403
Rpim	0.048	0.008	0.392
Total number of observations	2997337	18896	151455
Number of reflections	224393
<I/σ(I)>	13.1	40.4	2
Completeness [%]	99.7	97.7	100
Redundancy	13.4	12.2	13.8
CC(1/2)	0.997	1.000	0.565

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. Crystal was soaked in 100 mM UDP-galactopyranose for 75 minutes.