6I4U

Crystal structure of the disease-causing G426E 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	2016-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	118.737, 168.663, 61.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.559 - 1.840
R-factor	0.1841
Rwork	0.184
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmd
RMSD bond length	0.005
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.559	42.559	1.950
High resolution limit [Å]	1.840	5.480	1.840
Rmerge	0.098	0.027	1.307
Rmeas	0.106	0.029	1.414
Number of reflections	106853	4320	16793
<I/σ(I)>	13.27	50.11	1.24
Completeness [%]	99.2	98.7	97.5
Redundancy	6.658	6.138	6.811
CC(1/2)	0.999	1.000	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2 M ammonium sulfate, 2(v/v)% PEG 400, 0.1 M Hepes (pH 7.5)