1NXQ

Crystal Structure of R-alcohol dehydrogenase (RADH) (apoenyzme) from Lactobacillus brevis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1997-11-20
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	56.444, 85.065, 115.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.500 * - 1.790
R-factor	0.15112
Rwork	0.150
R-free	0.17800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB FILE 2HSD REDUCED TO A POLY-ALA CHAIN
RMSD bond length	0.009
RMSD bond angle	1.230 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.500	1.860
High resolution limit [Å]	1.790	1.790
Rmerge	0.059 *	0.235 *
Number of reflections	26183
<I/σ(I)>	46.4	11.2
Completeness [%]	98.9	91.3
Redundancy	9.5	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Niefind, K., (2000) Acta Crystallogr., D56, 1696. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		1 (mM)
2	1	drop	TEA	20 (mM)	pH7.0
3	1	drop	protein	15 (mg/ml)
4	1	reservoir	MPD	40 (%(v/v))