4U8O

Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A complexed with 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	2014-04-03
Detector	CUSTOM-MADE
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	218.387, 218.387, 321.681
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.000 - 2.300
R-factor	0.1743
Rwork	0.173
R-free	0.20280
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utg
RMSD bond length	0.007
RMSD bond angle	1.049
Data reduction software	XDS (0.2.17)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.040	63.040	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.145	0.029	1.275
Rpim	0.031	0.007	0.277
Total number of observations	4448690	26714	213401
Number of reflections	198780
<I/σ(I)>	23.6	71.5	2.9
Completeness [%]	100.0	99.1	100
Redundancy	22.4	18.8	22
CC(1/2)	0.999	1.000	0.847

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.