2BI4

Lactaldehyde:1,2-propanediol oxidoreductase of Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	110
Detector technology	CCD
Collection date	2003-11-30
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	109.422, 109.422, 182.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.000 - 2.850
R-factor	0.25761
Rwork	0.258
R-free	0.28724
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o2d
RMSD bond length	0.015
RMSD bond angle	1.493
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.920
High resolution limit [Å]	2.850	2.850
Rmerge	0.150	0.150
Number of reflections	24555
Completeness [%]	81.4	67.2
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		PROTEIN WAS CRYSTALLIZED FROM 0, 8M AMMONIUM SULPHATE, 0,1M MES PH6, pH 6.00