6I4P

Crystal structure of the disease-causing G194C 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	2017-08-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	119.487, 169.423, 61.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.093 - 1.600
R-factor	0.1876
Rwork	0.187
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmd
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]	46.093	46.093	1.690
High resolution limit [Å]	1.600	4.770	1.600
Rmerge	0.082	0.032	1.962
Rmeas	0.089	0.035	2.151
Number of reflections	162966	6623	23841
<I/σ(I)>	11.26	46.1	0.57
Completeness [%]	97.4	98.9	89.1
Redundancy	6.452	6.048	5.939
CC(1/2)	0.999	0.999	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	2 M ammonium sulfate, 2(v/v)% PEG 400, 0.1 M Bis-Tris (pH 6.9)