3UTH

Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with substrate UDP-Galp in reduced state

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 65 2 2
Unit cell lengths	219.125, 219.125, 322.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.807 - 2.250
R-factor	0.1868
Rwork	0.185
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ute
RMSD bond length	0.007
RMSD bond angle	1.077
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]	48.807	48.807	2.370
High resolution limit [Å]	2.250	7.120	2.250
Rmerge		0.032	0.599
Total number of observations		57695	211674
Number of reflections	207614
<I/σ(I)>	13.9	15.3	1.3
Completeness [%]	97.3	95.2	97.6
Redundancy	8	8.4	7

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