3SOE

Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-06-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.52
Spacegroup name	P 21 21 21
Unit cell lengths	34.630, 59.280, 65.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.520 - 1.600
R-factor	0.1894
Rwork	0.188
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of 3BPU 2r4h 2q9v
RMSD bond length	0.015
RMSD bond angle	1.403
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.520	21.290	1.680
High resolution limit [Å]	1.600	5.040	1.600
Rmerge	0.046	0.035	0.515
Total number of observations		2895	9488
Number of reflections	18132
<I/σ(I)>	17.1	10.4	1.5
Completeness [%]	97.9	98.1	95
Redundancy	4.7	4.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1M Bis-tris pH 6.0 0.25M Li2SO4 35% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K