3VQG

Crystal Structure Analysis of the PDZ Domain Derived from the Tight Junction Regulating Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-13
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	60.852, 50.768, 33.136
Unit cell angles	90.00, 120.08, 90.00

Refinement procedure

Resolution	26.328 - 1.350
R-factor	0.1718
Rwork	0.170
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vwr
RMSD bond length	0.005
RMSD bond angle	1.032
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmerge	0.091	129.460	0.991
Number of reflections	18907
<I/σ(I)>		732.8	43.8
Completeness [%]	98.7	82.9	99.7
Redundancy	3.5	3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	30% polyethlene glycol monomethyl ether 5000, 0.2M ammonium sulfate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K