6MTV

Crystal structure of human Scribble PDZ1:MCC 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	2017-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	57.403, 55.559, 61.775
Unit cell angles	90.00, 116.12, 90.00

Refinement procedure

Resolution	39.253 - 2.597
R-factor	0.2494
Rwork	0.248
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vwi
RMSD bond length	0.003
RMSD bond angle	0.526
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.253	2.710
High resolution limit [Å]	2.590	2.590
Rmerge	0.072	0.976
Rpim	0.072	0.975
Number of reflections	5477	617
<I/σ(I)>	8.1	0.553
Completeness [%]	97.2	95
Redundancy	2.8	2.7
CC(1/2)	0.997	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293.15	polyethylene glycol 1000, lithium sulfate monohydrate, phosphate/citrate