4GDE

Crystal structure of NADPH-reduced Aspergillus fumigatus UDP-galactopyranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	217.451, 217.451, 319.867
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.431 - 2.200
R-factor	0.2021
Rwork	0.201
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3utf
RMSD bond length	0.007
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.650	49.650	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.032	0.673
Total number of observations		32511	127933
Number of reflections	222394
<I/σ(I)>	9.8	13.1	1.2
Completeness [%]	99.7	97.7	99.8
Redundancy	4.4	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	1.4M ammonium sulfate, 0.1M sodium acetate, pH 4.5., vapor diffusion, sitting drop, temperature 298K