8B82

Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	34.410, 55.253, 114.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.800
R-factor	0.2438
Rwork	0.242
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mtv
RMSD bond length	0.002
RMSD bond angle	0.471
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.740	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.138	0.524
Number of reflections	5671	560
<I/σ(I)>	12.18
Completeness [%]	99.2
Redundancy	12.7
CC(1/2)	0.997	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	15% PEG 4000, 0.05 M Ammonium Sulfate