1E3J

Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-15
Detector	ADSC QUANTUM
Wavelength(s)	0.9998, 1.1807, 1.2825, 1.2829
Spacegroup name	I 2 2 2
Unit cell lengths	78.822, 98.395, 120.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.219
Rwork	0.219
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	24.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.0)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.049	0.205
Number of reflections	21214
<I/σ(I)>	44.9	7.9
Completeness [%]	97.5	95.5
Redundancy	13.3	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.75	18 *	1.4M AMMONIUM SUPLHATE, 6% (V/V) GLYCERO 100MM BORIC ACID, PH8.75

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	ammonium sulfate	1.4 (M)
3	1	reservoir	glycerol	6 (%)
4	1	reservoir	boric acid	0.1 (M)