6AK2

Crystal structure of the syntenin PDZ1 domain in complex with the peptide inhibitor KSL-128018

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	77
Detector technology	CCD
Collection date	2017-07-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	95.580, 38.396, 56.777
Unit cell angles	90.00, 92.52, 90.00

Refinement procedure

Resolution	30.393 - 1.868
R-factor	0.2119
Rwork	0.209
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w9e
RMSD bond length	0.007
RMSD bond angle	0.906
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.393	1.923
High resolution limit [Å]	1.868	1.868
Number of reflections	16918
<I/σ(I)>	42.88
Completeness [%]	97.6
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289	0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate (pH4.6), 30%Polythylene Glycol Monomethyl Ether 2,000.