3R68

Molecular Analysis of the PDZ3 domain of PDZK1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1.075
Spacegroup name	P 43 21 2
Unit cell lengths	69.910, 69.910, 37.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.150 - 1.300
R-factor	0.13192
Rwork	0.131
R-free	0.15686
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.607
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	28919
Completeness [%]	97.0	69.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	291	0.2M Zinc acetate, 0.1M sodium cacodylate, pH 6.2, 15% (W/V) PEG 3350, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 291K