4Q2Q

ZO1 PDZ3 in Complex with a Phage-Derived Peptide

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	2007-02-06
Detector	ADSC QUANTUM 210r
Spacegroup name	P 41 21 2
Unit cell lengths	50.607, 50.607, 78.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.450
R-factor	0.1627
Rwork	0.160
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h3l
RMSD bond length	0.016
RMSD bond angle	1.605
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.032	0.020	0.651
Number of reflections	18660
<I/σ(I)>	58.2		3.4
Completeness [%]	99.1	97.3	98.5
Redundancy	10.1	10.6	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	292	0.8 M sodium phosphate, 0.8 M potassium phosphate, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, temperature 292K