1LDY

HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND CYCLOHEXYL FORMAMIDE (CXF)

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	49.930, 180.200, 86.800
Unit cell angles	90.00, 106.00, 90.00

Refinement procedure

Resolution	12.000 - 2.500
R-factor	0.207 *
Rwork	0.207
RMSD bond length	0.020
RMSD bond angle	0.050
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.042 *
Number of reflections	46126 *
<I/σ(I)>	21.86	12
Completeness [%]	92.9	81.8
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7	5 *	PROTEIN WAS CRYSTALLIZED BY THE BATCH DIALYSIS METHOD USING MPD AS THE PRECIPITANT AT PH 7.0, 50 MM AMMONIUM N-[TRIS(HYDROXYMETHYL)METHYL]-2 AMINOETHANESULFONATE, WITH 0.66 MM NADH AND 0.76 MM 3-BUTYLTHIOLANE 1-OXIDE. VERY CLOSE TO C-CENTERED ORTHORHOMBIC BUT SCALES VERY BADLY AS C222. SO THE SYMMETRY IS ACTUALLY P21, batch dialysis

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	alcohol dehydrogenase	10 (mg/ml)
2	1	2	ammonium N-[tris(hydroxymethyl)methyl]-2-aminoethanesulfonate	50 (mM)
3	1	2	NADH	0.66 (mM)
4	1	2	N-cyclohexylformamide	10 (mM)
5	1	2	MPD	25 (%)