2H2B

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

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 41 21 2
Unit cell lengths	52.425, 52.425, 92.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.205
Rwork	0.203
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 2H3M
RMSD bond length	0.012
RMSD bond angle	1.358
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	1.670
High resolution limit [Å]	1.610	3.470	1.610
Rmerge		0.034
Number of reflections	17606
<I/σ(I)>	31.9		3.7
Completeness [%]	99.6	97.9	98.4
Redundancy	7.3	6.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	292	0.1 M Sodium Acetate, 0.2 M Ammonium Sulfate, 30% PEG 2000 Monomethyl Ether, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 292K