1NTO

N249Y MUTANT OF ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS-MONOCLINIC CRYSTAL FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-06-05
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	215.327, 91.594, 118.238
Unit cell angles	90.00, 99.20, 90.00

Refinement procedure

Resolution	15.000 - 1.940
R-factor	0.211
Rwork	0.210
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jvb
RMSD bond length	0.010
RMSD bond angle	24.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.033	0.090
Total number of observations	554277 *
Number of reflections	146709
<I/σ(I)>	29.8	11.7
Completeness [%]	87.9	86.9
Redundancy	3.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	Pearl, L., (1993) J. Mol. Biol., 229, 782. *