1NVG

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

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	2002-04-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393
Spacegroup name	I 41 2 2
Unit cell lengths	125.396, 125.396, 117.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.196
Rwork	0.196
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nto
RMSD bond length	0.008
RMSD bond angle	23.700 *
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]	25.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.036	0.088
Total number of observations	104158 *
Number of reflections	15757
<I/σ(I)>	32.9	16.3
Completeness [%]	95.0	96.9
Redundancy	6.6	6.3

Crystallization Conditions

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