2BTZ

crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 64
Unit cell lengths	109.317, 109.317, 85.087
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
Rwork	0.266
R-free	0.29650
Structure solution method	MIRAS
RMSD bond length	0.008
RMSD bond angle	1.290
Data reduction software	HKL
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.030	0.160
Number of reflections	28844
Completeness [%]	97.9	99
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.8	277	100MM SODIUM ACETATE PH5.6-5.8 6-9% ISOPROPANOL 75-125 MM MGCL2 10MG/ML PROTEIN 4 DEGREES, pH 5.80