7C7J

Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)

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	2019-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97917
Spacegroup name	P 21 21 21
Unit cell lengths	58.215, 191.926, 48.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.980 - 2.390
R-factor	0.1889
Rwork	0.185
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4x 4dxa
RMSD bond length	0.010
RMSD bond angle	1.133
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]	191.930	2.520
High resolution limit [Å]	2.390	2.390
Rmerge	0.264	1.346
Number of reflections	20943	1118
<I/σ(I)>	8.6
Completeness [%]	92.4
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	10% (w/v) PEG 8000, 100 mM Imidazole/Hydrochloric acid (pH 8.0), 200 mM Calcium acetate