3EXF

Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	103.389, 129.668, 144.946
Unit cell angles	90.00, 109.15, 90.00

Refinement procedure

Resolution	50.000 - 2.998
R-factor	0.189
Rwork	0.185
R-free	0.26300
RMSD bond length	0.020
RMSD bond angle	2.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	2.998	8.130	2.998
Rmerge	0.146	0.051	0.560
Number of reflections	72201
<I/σ(I)>	10.699
Completeness [%]	99.8	99.7	98.2
Redundancy	3.7	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	12% PEG 8000, 140mM NaOAC, 50mM BisTris pH6.5, 10% glucose, 50mM Taurine, 8mM MgCl2, and 10mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K