4PRK

Crystal structure of D-lactate dehydrogenase (D-LDH) from Lactobacillus jensenii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-07
Detector	ADSC QUANTUM 270r
Wavelength(s)	0.97985
Spacegroup name	P 31 2 1
Unit cell lengths	90.532, 90.532, 157.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.040 - 2.130
R-factor	0.2306
Rwork	0.215
R-free	0.27410
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.607
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.170
High resolution limit [Å]	2.130	5.780	2.130
Rmerge	0.057	0.031	0.294
Number of reflections	41739
<I/σ(I)>	15
Completeness [%]	97.8	99.1	83.5
Redundancy	8.5	11.7	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	PEG 400, Tris-HCl, MgSO4, pH 9.0, vapor diffusion, hanging drop, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	9	295	PEG 400, Tris-HCl, MgSO4, pH 9.0, vapor diffusion, hanging drop, temperature 295K