6I4Z

Crystal structure of the disease-causing P453L 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)	0.9184
Spacegroup name	P 1
Unit cell lengths	55.560, 123.390, 158.410
Unit cell angles	105.95, 91.31, 90.00

Refinement procedure

Resolution	46.567 - 2.342
R-factor	0.2276
Rwork	0.227
R-free	0.24900
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]	46.567	46.567	2.400
High resolution limit [Å]	2.340	10.470	2.340
Rmerge	0.144	0.058	0.972
Rmeas	0.161	0.064	1.134
Number of reflections	164477	1856	10787
<I/σ(I)>	7.45	21.33	1.22
Completeness [%]	96.6	97.6	85.6
Redundancy	4.972	5.126	3.601
CC(1/2)	0.993	0.996	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	2 M ammonium sulfate, 1.5 (v/v)% PEG 400, 0.1 M Hepes (pH7.3)