5HHF

Crystal structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant H63A with covalent FAD-Galactopyranose and bound UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-09-04
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	217.515, 217.515, 319.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.610 - 2.300
R-factor	0.1851
Rwork	0.184
R-free	0.21340
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3uth
RMSD bond length	0.007
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	Aimless (0.5.9)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.610	61.610	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.201	0.044	1.453
Rpim	0.045	0.010	0.329
Total number of observations	4132787	26391	196562
Number of reflections	196082
<I/σ(I)>	15.1	38.5	2.5
Completeness [%]	100.0	99	100
Redundancy	21.1	18.9	20.5
CC(1/2)	0.998	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1.6 M ammonium sulfate and 0.1 M sodium acetate at pH 4.5