1K2W

Crystal structure of sorbitol dehydrogenase from R. sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	280
Detector technology	IMAGE PLATE
Collection date	1999-01-01
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	67.465, 67.465, 191.044
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.400
Rwork	0.188
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1geg
RMSD bond length	0.005 *
RMSD bond angle	1.140 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.420
High resolution limit [Å]	2.400 *	2.420 *
Rmerge	0.078 *	0.225 *
Number of reflections	21038
<I/σ(I)>	8
Completeness [%]	91.5	92.1 *
Redundancy	3	2.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7	300	PEG4000, methanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	MES	100 (mM)	pH7.0
3	1	reservoir	PEG4000	18-21 (%)
4	1	reservoir	methanol	6-11 (%)