9VAC

Crystal structure of the PDZ tandem of syntenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	56.885, 56.885, 155.849
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.970 - 2.020
R-factor	0.2331
Rwork	0.231
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8blu
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.970	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.123	1.176
Number of reflections	19997	1447
<I/σ(I)>	15.6
Completeness [%]	100.0
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2 M ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate, 30% PEG 3,350