2IMP

Crystal structure of lactaldehyde dehydrogenase from E. coli: the ternary complex with lactate (occupancy 0.5) and NADH. Crystals soaked with (L)-Lactate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9798
Spacegroup name	P 64 2 2
Unit cell lengths	143.034, 143.034, 109.364
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
Rwork	0.200
R-free	0.23400
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.122	0.542
Number of reflections	36157
Redundancy	8	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.0 M Ammoniun sulfate, 0.1 M Bis-tris or Tris, pH 6.8 - 7.4, crystals were soaked with lactate; VAPOR DIFFUSION, HANGING DROP