5Z20

The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-31
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	155.690, 155.690, 230.011
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.400 - 2.200
R-factor	0.17206
Rwork	0.171
R-free	0.19891
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j49
RMSD bond length	0.019
RMSD bond angle	1.857
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.400	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.129	0.805
Rpim	0.045	0.293
Number of reflections	161477	22650
<I/σ(I)>	13.8	2.5
Completeness [%]	98.8	95.8
Redundancy	8.3	7.1
CC(1/2)	0.997	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1 mM NADH, 10 mM oxamate, 100 mM sodium formate, 10% PEG 3350