1JVB

ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	110
Detector technology	CCD
Collection date	2000-11-30
Detector	ADSC
Wavelength(s)	0.9830, 0.9795, 0.9792, 0.9537
Spacegroup name	I 41 2 2
Unit cell lengths	125.316, 125.316, 115.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.850
Rwork	0.191
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.056	0.358
Total number of observations	393222 *
Number of reflections	39211
<I/σ(I)>	37.8	6.3
Completeness [%]	99.9	99.9 *
Redundancy	10.3	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.8 *	20 *	6% (V/V) PEG 4000, 6% (V/V) ISOPROPANOL, 50MM SODIUM CITRATE PH 5.6, 50MM TRIS PH 7.8, pH 6.3, batch, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	24 (mg/ml)
2	1	drop	Tris-HCl	100 (mM)	pH7.8
3	1	drop	dithiothreitol	10 (mM)
4	1	reservoir	PEG4000	12 (%(w/v))
5	1	reservoir	2-propanol	12 (%(v/v))
6	1	reservoir	sodium citrate	100 (mM)	pH5.6