6MYF

Crystal structure of free human Scribble PDZ1 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-05-11
Detector	RDI CMOS_8M
Wavelength(s)	0.976251
Spacegroup name	C 2 2 21
Unit cell lengths	39.108, 42.824, 91.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.617 - 1.600
R-factor	0.1731
Rwork	0.171
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w4f
RMSD bond length	0.008
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.620	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.065	0.547
Rmeas	0.077	0.683
Rpim	0.030	0.339
Number of reflections	10237	1290
<I/σ(I)>	18.5	1.8
Completeness [%]	97.8	87.4
Redundancy	6.2	3.7
CC(1/2)	0.999	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M Citric acid pH 3.5, 25% (w/v) PEG 3350