6I4S

Crystal structure of the disease-causing R447G 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	2016-02-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	117.273, 169.043, 60.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.511 - 1.750
R-factor	0.1787
Rwork	0.178
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmd
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.511	45.511	1.850
High resolution limit [Å]	1.750	5.220	1.750
Rmerge	0.102	0.025	1.139
Rmeas	0.111	0.027	1.234
Number of reflections	121942	4951	19452
<I/σ(I)>	14.49	55.99	1.49
Completeness [%]	99.1	99.2	98.9
Redundancy	6.566	5.937	6.723
CC(1/2)	0.999	1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2 M ammonium sulfate, 2 (v/v)% PEG 400, 0.1 M Hepes (pH 7.5)