6R9H

Crystal structure of the PDZ tandem of syntenin in complex with fragment C58

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	28.937, 56.185, 100.874
Unit cell angles	82.59, 84.21, 78.59

Refinement procedure

Resolution	45.910 - 2.000
R-factor	0.21169
Rwork	0.208
R-free	0.24622
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w9e
RMSD bond length	0.008
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.910	2.000
High resolution limit [Å]	2.000	2.072
Rmerge	0.087	0.689
Rmeas	0.104	0.810
Rpim	0.055	0.423
Number of reflections	40550	4087
<I/σ(I)>	7.57	1.53
Completeness [%]	97.4	96.8
Redundancy	3.5	3.6
CC(1/2)	0.998	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM Sodium Acetate pH 4.6, 200mM Ammonium Acetate, 22% PEG 3350