1H2B

Crystal Structure of the Alcohol Dehydrogenase from the Hyperthermophilic Archaeon Aeropyrum pernix at 1.65A Resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	100.661, 103.186, 67.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.620
R-factor	0.16829
Rwork	0.168
R-free	0.20330 *
Structure solution method	MAD
Starting model (for MR)	1hsz
RMSD bond length	0.015 *
RMSD bond angle	1.746 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.054	0.932
Number of reflections	88078 *
<I/σ(I)>	28.9	1.52
Completeness [%]	97.9	95.6
Redundancy	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.75		pH 6.75

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PIPES	100 (mM)	pH6.75
2	1	reservoir	PEG600	13-16 (%(w/v))
3	1	reservoir	NADH	0.5 (mM)
4	1	drop	protein	10 (mg/ml)