4U8J

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A

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	218.419, 218.419, 322.197
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	163.000 - 2.300
R-factor	0.1837
Rwork	0.182
R-free	0.21970
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.007
RMSD bond angle	1.023
Data reduction software	XDS (0.1.29)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	163.120	163.120	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.204	0.034	0.759
Rpim	0.065	0.011	0.236
Total number of observations	2130460	13643	109153
Number of reflections	198787
<I/σ(I)>	10	19.7	3.1
Completeness [%]	99.9	98.5	99.9
Redundancy	10.7	9.8	11.2
CC(1/2)	0.991	0.999	0.819

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.