6MS1

Crystal structure of the human Scribble PDZ1 domain bound to the PDZ-binding motif of APC

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	2018-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91840
Spacegroup name	C 1 2 1
Unit cell lengths	62.338, 51.102, 57.051
Unit cell angles	90.00, 92.69, 90.00

Refinement procedure

Resolution	39.503 - 1.350
R-factor	0.1788
Rwork	0.178
R-free	0.20350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwk
RMSD bond length	0.005
RMSD bond angle	0.673
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.503	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.072	0.448
Rmeas	0.087	0.606
Rpim	0.039	0.284
Number of reflections	38341	1786
<I/σ(I)>	7	1.5
Completeness [%]	97.5	91.3
Redundancy	4.6	4.1
CC(1/2)	0.996	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Potassium formate, 20% PEG 3350