2GN9

Crystal structure of UDP-GlcNAc inverting 4,6-dehydratase in complex with NADP and UDP-Glc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	95
Detector technology	CCD
Collection date	2002-03-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795
Spacegroup name	P 63
Unit cell lengths	112.376, 112.376, 107.349
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.220
R-free	0.30700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sb8
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.083	0.259
Number of reflections	18312	1849
<I/σ(I)>	8.7
Completeness [%]	99.6
Redundancy	6.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	10% (v/v) PEG-200, 100 mM MES, 5% (v/w) PEG-3000, 4% (v/v) acetone, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K