6MTU

Crystal structure of human Scribble PDZ1:pMCC complex

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	2018-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 41
Unit cell lengths	53.600, 53.600, 214.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.884 - 2.141
R-factor	0.2066
Rwork	0.197
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwc
RMSD bond length	0.003
RMSD bond angle	0.516
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.884	2.475
High resolution limit [Å]	2.141	2.141
Rmerge	0.082	0.750
Rpim	0.058	0.616
Number of reflections	8817	461
<I/σ(I)>	12	1.5
Completeness [%]	91.5	69.1
Redundancy	5.7	4.5
CC(1/2)	0.999	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293.15	Phosphate/citrate, PEG 300