6H9S

Crystal dimeric structure of Petrotoga mobilis lactate dehydrogenase with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-19
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966000
Spacegroup name	C 1 2 1
Unit cell lengths	91.268, 103.739, 90.700
Unit cell angles	90.00, 107.25, 90.00

Refinement procedure

Resolution	44.501 - 1.900
R-factor	0.1707
Rwork	0.169
R-free	0.19690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a5z
RMSD bond length	0.007
RMSD bond angle	0.774
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.510	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.027	0.357
Rmeas	0.039
Number of reflections	62820
<I/σ(I)>	2.3
Completeness [%]	99.0
Redundancy	1.9
CC(1/2)	0.999	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG 3350 20%, NaNO3 0.1 M