6I4T

Crystal structure of the disease-causing I445M 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	118.915, 169.004, 60.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.596 - 1.823
R-factor	0.1913
Rwork	0.191
R-free	0.21030
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]	45.596	45.596	1.930
High resolution limit [Å]	1.820	5.440	1.820
Rmerge	0.094	0.040	1.182
Rmeas	0.102	0.043	1.281
Number of reflections	108394	4428	16652
<I/σ(I)>	11.05	35.59	1.39
Completeness [%]	98.5	99.3	94.5
Redundancy	6.607	6.249	6.639
CC(1/2)	0.999	0.999	0.840

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)