6CEP

Sus scrofa heart L-lactate dehydrogenase ternary complex with NADH and oxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	60.120, 137.230, 161.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.532 - 2.000
R-factor	0.2171
Rwork	0.216
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ldh
Data reduction software	xia2 (0.5.179)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.530	104.530	2.030
High resolution limit [Å]	2.000	10.950	2.000
Rmerge	0.156	0.061	1.387
Rmeas	0.178	0.071	1.569
Rpim	0.085	0.035	0.727
Total number of observations	387434	2291	18805
Number of reflections	91063	663	4389
<I/σ(I)>	5.1	8.4	1.4
Completeness [%]	100.0	99.7	100
Redundancy	4.3	3.5	4.3
CC(1/2)	0.992	0.993	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 8000, sodium acetate, HEPES, sodium oxamate, NADH