5NHG

Crystal structure 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	2016-09-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	60.060, 113.540, 136.880
Unit cell angles	83.18, 84.75, 81.09

Refinement procedure

Resolution	46.622 - 2.270
R-factor	0.1809
Rwork	0.180
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmd
RMSD bond length	0.007
RMSD bond angle	0.942
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]	46.622	46.622	2.330
High resolution limit [Å]	2.270	10.150	2.270
Rmerge	0.058	0.026	0.541
Rmeas	0.068	0.031	0.733
Total number of observations	602581
Number of reflections	160435	1703	11068
<I/σ(I)>	13.68	41.51	1.46
Completeness [%]	98.1	93.3	91.9
Redundancy	3.756	3.824	2.106
CC(1/2)	0.999	0.999	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.45	293	0.1 M Bis-Tris (pH 7.45), 0.2 M MgCl2, 25 (w/v)% PEG 3350