6EEY

Crystal structure of human Scribble PDZ4 R1110G Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	27.286, 40.235, 32.260
Unit cell angles	90.00, 97.85, 90.00

Refinement procedure

Resolution	31.958 - 1.145
R-factor	0.1595
Rwork	0.157
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wyt
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (1.13)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.230	40.230	1.170
High resolution limit [Å]	1.140	5.120	1.140
Rmerge	0.067	0.054
Rmeas	0.075	0.061
Rpim	0.033	0.028
Total number of observations	90869	1246	34
Number of reflections	20632	280	34
<I/σ(I)>	12.8	18.9	3.3
Completeness [%]	82.3	92.7	1.9
Redundancy	4.4	4.4	1
CC(1/2)	0.997	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	21% PEG 3350, 0.25 M Ammonium Nitrate