3SHW

Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	49.005, 86.955, 141.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.120 - 2.900
R-factor	0.21083
Rwork	0.209
R-free	0.25299
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.006
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.120
High resolution limit [Å]	2.900	2.900
Rmerge	0.072
Number of reflections	13414
<I/σ(I)>	16.5
Completeness [%]	95.6	95.6
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	16% (w/v) PEG 8000, 0.1M Sodium Citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K