4U8L

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A

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	218.181, 218.181, 321.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	103.319 - 2.300
R-factor	0.1902
Rwork	0.189
R-free	0.22170
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.008
RMSD bond angle	1.061
Data reduction software	XDS (0.1.29)
Data scaling software	Aimless
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	122.530	122.530	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.167	0.031	1.167
Rpim	0.083	0.016	0.572
Total number of observations	954588	5887	47492
Number of reflections	197338
<I/σ(I)>	7.6	19.7	1.4
Completeness [%]	99.5	94.7	99.9
Redundancy	4.8	4.4	4.9
CC(1/2)	0.979	0.998	0.563

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.