2I7N

Crystal structure of human PANK1 alpha: the catalytic core domain in complex with AcCoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-19
Detector	SBC-3
Wavelength(s)	0.9
Spacegroup name	P 63
Unit cell lengths	92.989, 92.989, 197.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.460 - 1.900
R-factor	0.222
Rwork	0.222
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.500
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.380
Number of reflections	75175
<I/σ(I)>	47.6	3.5
Completeness [%]	99.5	98.9
Redundancy	7.6	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG400, 0.2M CaCl, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG400, 0.2M CaCl, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K