4PRL

Crystal structure of D-lactate dehydrogenase with NAD+ 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	2011-11-08
Detector	ADSC QUANTUM 270r
Wavelength(s)	0.97985
Spacegroup name	P 31 2 1
Unit cell lengths	90.714, 90.714, 158.183
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.120 - 2.600
R-factor	0.2279
Rwork	0.211
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4prk
RMSD bond length	0.010
RMSD bond angle	1.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.078	0.038	0.309
Number of reflections	23041
<I/σ(I)>	10.1
Completeness [%]	96.5	98.3	90.9
Redundancy	4.4	5.5	2.9

Crystallization Conditions

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