5Z1Z

The apo-structure of D-lactate dehydrogenase from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	139.600, 150.490, 62.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.240 - 1.970
R-factor	0.20509
Rwork	0.204
R-free	0.22735
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j49
RMSD bond length	0.017
RMSD bond angle	1.698
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.240	2.080
High resolution limit [Å]	1.970	1.970
Rmerge	0.089	0.599
Rpim	0.039	0.325
Number of reflections	90771	11859
<I/σ(I)>	11.8	2.2
Completeness [%]	98.6	88.2
Redundancy	5.2	3.7
CC(1/2)	0.997	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% PEG 3350, 200 mM magnesium acetate