6TN3

Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with GlcNAc-1P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	277
Detector technology	PIXEL
Collection date	2007-08-25
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9340
Spacegroup name	P 21 21 21
Unit cell lengths	55.736, 138.140, 145.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.925 - 2.282
R-factor	0.2083
Rwork	0.205
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yqs
RMSD bond length	0.009
RMSD bond angle	0.998
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.360
High resolution limit [Å]	2.280	2.280
Rmerge	0.116	0.392
Number of reflections	49491	4051
<I/σ(I)>	11.2
Completeness [%]	95.5
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium formate and 20 % PEG3350