1OBY

Crystal structure of the complex of PDZ2 of syntenin with a syndecan-4 peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-31
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	58.337, 54.441, 50.219
Unit cell angles	90.00, 98.65, 90.00

Refinement procedure

Resolution	49.390 - 1.850
Rwork	0.175
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n99
RMSD bond length	0.012
RMSD bond angle	1.820 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.049	0.413
Total number of observations	46421 *
Number of reflections	12987 *	1108 *
<I/σ(I)>	25.8	2.86
Completeness [%]	97.4	83.7
Redundancy	3.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8	294 *	SITTING DROP WITH 0.1 M HEPES, PH 6.8, 1.6 M AMMONIUM SULFATE, 20 MM COCL2, AND 0.2 MGSO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)	pH6.8
2	1	reservoir	ammonium sulfate	1.6 (M)
3	1	reservoir		20 (mM)
4	1	reservoir		0.2 (M)