6I4Q

Crystal structure of the human dihydrolipoamide dehydrogenase at 1.75 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	2017-08-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	119.411, 169.945, 61.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.002 - 1.750
R-factor	0.2055
Rwork	0.205
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zmd
RMSD bond length	0.008
RMSD bond angle	1.089
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]	46.002	46.002	1.850
High resolution limit [Å]	1.750	5.210	1.750
Rmerge	0.088	0.036	2.694
Rmeas	0.096	0.039	2.931
Number of reflections	125138	5125	19837
<I/σ(I)>	10.72	43.38	0.55
Completeness [%]	98.1	99.4	97.4
Redundancy	6.612	6.224	6.415
CC(1/2)	0.999	0.999	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293	2 M ammonium sulfate, 1.5 (v/v)% PEG 400, 0.1 M Bis-Tris (pH 6.9)