1TP3

PDZ3 domain of PSD-95 protein complexed with KKETPV peptide ligand

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	2004-03-27
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 41 3 2
Unit cell lengths	89.663, 89.663, 89.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.570 - 1.990
R-factor	0.22788
Rwork	0.225
R-free	0.29610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1be9
RMSD bond length	0.038
RMSD bond angle	2.721
Data reduction software	XDS
Data scaling software	d*TREK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.960	2.060
High resolution limit [Å]	1.990	1.990
Number of reflections	8916
<I/σ(I)>	6
Completeness [%]	99.7	99.1
Redundancy	11.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	295	1.0 M sodium citrate, 0.1 M HEPES, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K