1DLJ

THE FIRST STRUCTURE OF UDP-GLUCOSE DEHYDROGENASE (UDPGDH) REVEALS THE CATALYTIC RESIDUES NECESSARY FOR THE TWO-FOLD OXIDATION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-20
Detector	BRANDEIS - B4
Spacegroup name	P 4 21 2
Unit cell lengths	106.961, 106.961, 81.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.890 - 1.800
R-factor	0.179
Rwork	0.179
R-free	0.21300
RMSD bond length	0.011
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.900	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.045	0.510
Total number of observations	176474 *
Number of reflections	38487
<I/σ(I)>	28.8
Completeness [%]	87.3 *	42.4
Redundancy	4.6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	ambient temperature *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2-2.1 (M)
2	1	reservoir	glycerol	6-8 (%)
3	1	reservoir	Tris-HCl	100 (mM)