6XNJ

Crystal structure of the PDZ domain of human GOPC in complex with a peptide of E. coli O157:H7 str. Sakai effector NleG8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	68.759, 68.759, 59.941
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.380 - 1.850
R-factor	0.1627
Rwork	0.161
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e34
RMSD bond length	0.009
RMSD bond angle	0.891
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.093	0.679
Rpim	0.039	0.283
Number of reflections	14417	723
<I/σ(I)>	18.11	2.14
Completeness [%]	99.8	99.9
Redundancy	6.5
CC(1/2)	1.000	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.5 M ammonium sulfate, 15% sucrose, 0.1 M Hepes pH 7.5, 2 mM peptide