6Q0M

Structure of Erbin PDZ derivative E-14 with a high-affinity peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	34.000, 36.040, 38.650
Unit cell angles	84.33, 76.95, 66.66

Refinement procedure

Resolution	30.600 - 1.200
R-factor	0.159
Rwork	0.156
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Swiss-Modeller model of E-14 PDZ
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.450	1.180
High resolution limit [Å]	1.160	1.160
Rmerge	0.041	1.110
Number of reflections	48498	1838
<I/σ(I)>	15.5	1
Completeness [%]	86.5	67
Redundancy	3.7	3.1
CC(1/2)	0.998	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	297	9% PEG8K, 200 mM MgCl2, 100 mM NaAc 4.5