8B87

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	2018-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	C 1 2 1
Unit cell lengths	74.620, 31.140, 91.760
Unit cell angles	90.00, 107.56, 90.00

Refinement procedure

Resolution	35.570 - 2.000
R-factor	0.2216
Rwork	0.220
R-free	0.25550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mtv
RMSD bond length	0.002
RMSD bond angle	0.470
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]	35.570	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079	0.836
Number of reflections	13792	1385
<I/σ(I)>	8.11
Completeness [%]	98.9
Redundancy	2.9
CC(1/2)	0.998	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Sodium Fluoride, 0.1 M Bis-Tris propane pH 6.5, 20% w/v PEG 3350