8ATJ

Crystal Structure of Shank2-SAM domain

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 65
Unit cell lengths	57.490, 57.490, 48.033
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.788 - 2.117
Rwork	0.196
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f44
RMSD bond length	0.008
RMSD bond angle	1.488
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.800	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.259	1.420
Rpim	0.059	0.327
Number of reflections	5201	516
<I/σ(I)>	10.07	1.61
Completeness [%]	99.9	100
Redundancy	19.8	19.7
CC(1/2)	0.996	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1M Bis Tris pH5.5, 0.3M of Magnesium formate