5VWU

Crystal structure of oxidized Aspergillus fumigatus UDP-galactopyranose mutase complexed with NADH

Replaces:  4GDD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	218.247, 218.247, 318.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.586 - 2.750
R-factor	0.1958
Rwork	0.194
R-free	0.22730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3utf
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	162.476	162.476	2.900
High resolution limit [Å]	2.750	8.700	2.750
Rmerge		0.042	1.216
Rmeas	0.168	0.045	1.297
Rpim	0.054	0.015	0.429
Total number of observations	982507
Number of reflections	115207
<I/σ(I)>	10.9	13.5	0.6
Completeness [%]	99.6	97.5	99.9
Redundancy	8.5	8.4	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	1.4 M ammonium sulfate, 0.1 M sodium acetate, pH 4.5