2OPX

Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-16
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 64 2 2
Unit cell lengths	141.811, 141.811, 107.861
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.530
R-factor	0.1803
Rwork	0.177
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.091	2.670
High resolution limit [Å]	2.530	2.530
Rmerge	0.162	0.515
Total number of observations		44323
Number of reflections	21449
<I/σ(I)>	4.6	1.5
Completeness [%]	98.6	99.3
Redundancy	14.4	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.4M Na-citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.4M Na-citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.4M Na-citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.4M Na-citrate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K