4W6Z

YEAST ALCOHOL DEHYDROGENASE I, SACCHAROMYCES CEREVISIAE FERMENTATIVE ENZYME

Replaces:  2HCY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-07-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.857
Spacegroup name	P 3 2 1
Unit cell lengths	144.338, 144.338, 128.204
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.090 - 2.400
R-factor	0.17767
Rwork	0.177
R-free	0.22177
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1LLU.PDB
RMSD bond length	0.015
RMSD bond angle	1.861
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.400	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.116	0.418
Number of reflections	59662
<I/σ(I)>	8	3.5
Completeness [%]	98.5	93.3
Redundancy	3.85	3.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.4	278	125 MM SODIUM N-TRIS(HYDROXYMETHYL) METHYL-3-AMINOPROPANE SULFONIC ACID, 1.7 MM NICOTINAMIDE 8- IODOADENINE DINUCLEOTIDE, 0.1 M 2,2,2-TRIFLUOROETHANOL, 0.16 MM EDTA, 10 MG/ML PROTEIN, 6% INITIAL POLYETHYLENE GLYCOL 5000 MONOMETHYL ETHER (FLUKA MPEG5000) IN DROP HANGING OVER 22-26% MPEG5000 AND 0.1 M 2,2,2-TRIFLUOROETHANOL. CRYSTALS WERE SOAKED IN SAME BUFFER WITH 30% W/V MPEG5000 WITH 0.5 M 2,2,2- TRIFLUOROETHANOL FOR FIVE DAYS BEFORE FREEZING AT 100 K., PH 8.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K, PH 8.40