3UTF

Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase in reduced state

Experimental procedure

Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 65 2 2
Unit cell lengths	217.965, 217.965, 322.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.243 - 2.250
R-factor	0.1914
Rwork	0.190
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ute
RMSD bond length	0.007
RMSD bond angle	1.044
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.243	48.243	2.370
High resolution limit [Å]	2.250	7.120	2.250
Rmerge		0.025	0.599
Total number of observations		50649	227555
Number of reflections	211192
<I/σ(I)>	16.2	25.1	1.3
Completeness [%]	99.8	97.8	100
Redundancy	7.4	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	1.5M ammonium sulfate, 0.1M sodium acetate, 5mM L-cysteine, 0.5mM THP , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K