1H6C

Oxidized Precursor Form of Glucose-Fructose Oxidoreductase from Zymomonas mobilis complexed with succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	84.100, 93.300, 115.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.215
Rwork	0.215
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ofg
RMSD bond length	0.007
RMSD bond angle	23.900 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.060	0.363
Number of reflections	46439
<I/σ(I)>	10	2.1
Completeness [%]	99.5	99.7
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.4 *		12% PEG6000, 210MM AMMONIUM SULFATE, 20% GLYCEROL, 100MM K-SUCCINATE PH6.5, pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	mg/ml	40 (mM)	pH6.4
3	1	reservoir	PEG6000	12 (%)
4	1	reservoir	glycerol	20 (%)
5	1	reservoir	ammonium sulfate	210 (mM)
6	1	reservoir	potassium succinate	100 (mM)	pH5.5