6X20

PDZ domain from choanoflagellate GIPC (mbGIPC) bound to B1AR 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	29.787, 34.841, 81.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.802 - 1.402
R-factor	0.209
Rwork	0.208
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v6b
RMSD bond length	0.005
RMSD bond angle	0.729
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]	40.802	1.590	1.490
High resolution limit [Å]	1.402	1.490	1.402
Number of reflections	17334	2872	5196
<I/σ(I)>	21.58	2.67	1.34
Completeness [%]	99.9	100	99.5
Redundancy	6.69	6.57	6.16
CC(1/2)	1.000	0.860	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2 M sodium malonate, pH 7.0, 20% w/v PEG3350