6X22

PDZ domain from choanoflagellate GIPC (mbGIPC) bound to GAIP peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-12-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977410
Spacegroup name	P 21 21 21
Unit cell lengths	29.729, 35.028, 82.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.274 - 1.402
R-factor	0.1885
Rwork	0.187
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v6b
RMSD bond length	0.006
RMSD bond angle	0.867
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.274	1.590	1.490
High resolution limit [Å]	1.402	1.490	1.402
Number of reflections	17577	4779	4937
<I/σ(I)>	22.08	3.23	1.68
Completeness [%]	96.8	96	93.5
Redundancy	6.79	6.9	6.52
CC(1/2)	1.000	0.878	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	4% v/v Tacsimate, pH 4.0, 12% w/v PEG3350