1VLB

STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A

Replaces:  1HLRReplaces:  1ALO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-11-07
Detector	MARRESEARCH
Wavelength(s)	1.0004
Spacegroup name	P 61 2 2
Unit cell lengths	141.780, 141.780, 160.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.400 - 1.280
R-factor	0.148
Rwork	0.145
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ALO
RMSD bond length	0.013
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.400	1.330
High resolution limit [Å]	1.280	1.280
Rmerge	0.091	0.649
Number of reflections	226751
<I/σ(I)>	17.7	1.6
Completeness [%]	93.0	92.3
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	MgCl2, isopropyl alcohol, pH 7.5, VAPOR DIFFUSION, SITTING DROP at 277K