7YKI

Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR3 peptide

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	2013-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	P 21 2 21
Unit cell lengths	65.975, 78.909, 92.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.496 - 2.000
Rwork	0.207
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eeh 5ypo
RMSD bond length	0.008
RMSD bond angle	1.489
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.091	0.036	0.506
Total number of observations	138910
Number of reflections	32529	1652	1623
<I/σ(I)>	12.9
Completeness [%]	97.3	89.9	98.9
Redundancy	4.3	4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	2.1 M ammonium phosphate dibasic, 0.2 M ammonium sulfate, 0.1M Tris (pH 8.5)