7C7I

Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97891
Spacegroup name	P 21 21 21
Unit cell lengths	48.502, 55.619, 189.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 2.280
R-factor	0.1752
Rwork	0.172
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4x 4dxa
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.280	2.300
Rmerge	0.153	0.835
Number of reflections	23777	1181
<I/σ(I)>	13.9
Completeness [%]	98.4
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	14.4% (w/v) PEG 8000, Sodium cacodylate/Hydrochloric acid (pH 6.5), 160 mM Calcium acetate, 20% (v/v) Glycerol