7PSC

Crystal structure of the disease-causing I358T 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	2021-01-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	188.960, 61.250, 85.010
Unit cell angles	90.00, 101.06, 90.00

Refinement procedure

Resolution	49.118 - 2.436
R-factor	0.2611
Rwork	0.260
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i4q
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP (11.7.03; 13.07.2020)
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.118	49.118	2.580
High resolution limit [Å]	2.436	7.240	2.440
Rmerge	0.082	0.017	4.165
Rmeas	0.089	0.019	4.494
Number of reflections	35480	1402	5611
<I/σ(I)>	13.3	75.73	0.5
Completeness [%]	98.5	96	97.2
Redundancy	6.786	6.162	6.986
CC(1/2)	1.000	1.000	0.362

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	0.2 M magnesium chloride, 0.1 M BIS-TRIS (pH 6.7), 25 (v/v)% PEG 3350, 5 (v/v)% ethyl acetate