3TF5

Structure of UDP-glucose dehydrogenase V132 deletion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	193
Detector technology	CCD
Collection date	2010-12-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	180.030, 116.930, 96.340
Unit cell angles	90.00, 115.93, 90.00

Refinement procedure

Resolution	37.715 - 2.300
R-factor	0.2022
Rwork	0.201
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q3e
RMSD bond length	0.009
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_833))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.430
High resolution limit [Å]	2.300	2.300
Rmerge	0.104
Number of reflections	77497
<I/σ(I)>	18.13	2.5
Completeness [%]	96.0	91
Redundancy	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	295	0.1 mM piperine, 12% PEG3350, 2% DMSO, 125 mM magnesium acetate, 0.1 M sodium glycine, pH 9.4, yielded triangular plates within one week, VAPOR DIFFUSION, HANGING DROP, temperature 295K