9KSQ

Crystal Structure of the mouse Shank3 SAM domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97918
Spacegroup name	P 65
Unit cell lengths	63.464, 63.464, 49.083
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.730 - 2.790
R-factor	0.2039
Rwork	0.201
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f3n
RMSD bond length	0.010
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.960
High resolution limit [Å]	2.790	2.790
Rmeas	0.289	0.833
Number of reflections	2862	288
<I/σ(I)>	2.99	2.68
Completeness [%]	99.9	100
Redundancy	10.25	10.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Calcium chloride dihydrate, 0.1 M Sodium acetate trihydrate pH 4.6, 20% v/v 2-Propanol