8BJ0

Crystal structure of Scribble PDZ1 with PTHR

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	2022-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	I 41 2 2
Unit cell lengths	82.454, 82.454, 59.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.370 - 2.600
R-factor	0.2775
Rwork	0.277
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwi
RMSD bond length	0.002
RMSD bond angle	0.518
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]	41.270	2.694
High resolution limit [Å]	2.600	2.600
Rmerge	0.082
Number of reflections	3144	313
<I/σ(I)>	8.7
Completeness [%]	94.7
Redundancy	3.8
CC(1/2)	0.998	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium cacodylate pH 5.8, 53% MPD