2H2C

Crystal Structure of ZO-1 PDZ1 Bound to a Phage-Derived Ligand (WRRTTWV)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-26
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	51.591, 51.591, 88.262
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.21
Rwork	0.209
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 2H3M
RMSD bond length	0.012
RMSD bond angle	1.160
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge		0.034
Number of reflections	9658
<I/σ(I)>	29.8		4.7
Completeness [%]	99.8	98.5	100
Redundancy	5.8	5.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	292	0.1 M Sodium Acetate, 2 M sodium formate, pH 4.6, VAPOR DIFFUSION, temperature 292K