3L4F

Crystal Structure of betaPIX Coiled-Coil Domain and Shank PDZ Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-25
Detector	ADSC QUANTUM 210
Wavelength(s)	0.91993
Spacegroup name	P 32 1 2
Unit cell lengths	47.666, 47.666, 263.161
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.280 - 2.800
R-factor	0.272
Rwork	0.272
R-free	0.30700
Structure solution method	MAD
Starting model (for MR)	1q3o
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.800	2.800
Number of reflections	8492
<I/σ(I)>	36.6	4.2
Completeness [%]	95.6	93.4
Redundancy	4.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	15% ETHANOL, 10% ETHYLENE GLYCOL, 0.1M MES-NAOH, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	15% ETHANOL, 10% ETHYLENE GLYCOL, 0.1M MES-NAOH, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 298K