1C9U

CRYSTAL STRUCTURE OF THE SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE IN COMPLEX WITH PQQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1997-09-07
Detector	CUSTOM-MADE
Spacegroup name	C 2 2 21
Unit cell lengths	60.590, 158.720, 221.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.224
Rwork	0.223
R-free	0.28600
RMSD bond length	0.007
RMSD bond angle	2.537
Data reduction software	BIOMOL
Data scaling software	BIOMOL
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	2.160
High resolution limit [Å]	2.130	2.130
Rmerge	0.067	0.220
Number of reflections	48621
<I/σ(I)>	8.6
Completeness [%]	80.4	22.2
Redundancy	3.7	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.2	293	PEG 6000, SODIUM CHLORIDE, CALCIUM CHLORIDE, TRIS, GLYCINE, pH 9.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	20-23 (%(w/v))
2	1	reservoir		120 (mM)
3	1	reservoir		3 (mM)
4	1	reservoir	Tris-Gly	50 (mM)