3PJG

Crystal structure of UDP-glucose dehydrogenase from Klebsiella pneumoniae complexed with product UDP-glucuronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 64 2 2
Unit cell lengths	133.403, 133.403, 187.279
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.1873
Rwork	0.185
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pid
RMSD bond length	0.020
RMSD bond angle	2.059
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.081	0.457
Number of reflections	27652
<I/σ(I)>	35.7	7.8
Completeness [%]	99.9	100
Redundancy	14.9	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	11	283	20mM CAPS buffer (pH 11.0), 6% (w/v) PEG 8000, 16% (w/v) ethyleneglycol, 4mM UDP-glucuronic acid, VAPOR DIFFUSION, SITTING DROP, temperature 283K