6I4R

Crystal structure of the disease-causing R460G mutant of the human dihydrolipoamide dehydrogenase at 1.44 Angstrom resolution

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 21 21 2
Unit cell lengths	118.380, 169.641, 62.009
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.106 - 1.439
R-factor	0.1716
Rwork	0.171
R-free	0.18880
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]	46.106	46.106	1.520
High resolution limit [Å]	1.430	4.290	1.430
Rmerge	0.076	0.033	2.352
Rmeas	0.082	0.036	2.553
Number of reflections	225933	9042	34983
<I/σ(I)>	12.12	47.61	0.62
Completeness [%]	99.0	99.7	95.5
Redundancy	6.584	6.266	6.481
CC(1/2)	0.999	0.999	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2 M ammonium sulfate, 2 (v/v)% PEG 400, 0.1 M Bis-Tris (pH 6.5)