7CQF

Crystal structure of PSD-95 PDZ3 fused with ADAM22 C-terminal peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	63.961, 63.961, 48.795
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.640 - 1.800
R-factor	0.16893
Rwork	0.167
R-free	0.20513
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tp3
RMSD bond length	0.010
RMSD bond angle	1.660
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmeas	0.134	0.791
Rpim	0.031	0.262
Number of reflections	10624	532
<I/σ(I)>	26.2
Completeness [%]	100.0
Redundancy	16.1
CC(1/2)	0.999	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M choline chloride, 0.1 M Tris-HCl (pH 7.5), 14 % (w/v) PEG 2000 MME