7ZYT

Crystal structure of the I318T pathogenic variant 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	2021-10-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	188.650, 59.000, 83.230
Unit cell angles	90.00, 101.40, 90.00

Refinement procedure

Resolution	44.140 - 2.892
R-factor	0.2522
Rwork	0.250
R-free	0.28700
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]	44.140	44.139	3.050
High resolution limit [Å]	2.880	8.500	2.880
Rmerge	0.182	0.032	2.984
Rmeas	0.198	0.035	3.253
Number of reflections	20384	836	3006
<I/σ(I)>	8.37	41.92	0.57
Completeness [%]	98.3	97.4	91.1
Redundancy	6.439	5.506	6.177
CC(1/2)	0.998	0.999	0.354

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), 29 (v/v)% PEG 3350, cryo-protection: 15 and then 30 (v/v)% ethylene glycol in the reservoir