6HG8

Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 21 21 2
Unit cell lengths	117.913, 169.497, 61.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.760
R-factor	0.1883
Rwork	0.187
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmd
RMSD bond length	0.019
RMSD bond angle	1.893
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	1.860
High resolution limit [Å]	1.760	1.760
Rmerge	0.141	0.255
Number of reflections	114691	14032
<I/σ(I)>	9.5	0.59
Completeness [%]	93.0	71.2
Redundancy	6.8	6.7
CC(1/2)	0.998	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293.15	protein in: 100 mM Tris,150 mM NaCl, 1 mM EDTA, pH 8.0 reservoir solution: 2 M (NH4)2SO4, 2 v/v% PEG-400, 0.1 M HEPES (pH 6.9) volume ratio: 1