6X1X

PDZ domain from choanoflagellate GIPC (mbGIPC)

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	2019-05-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977410
Spacegroup name	P 21 21 21
Unit cell lengths	29.709, 35.301, 82.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.386 - 1.198
R-factor	0.1678
Rwork	0.167
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5v6b
RMSD bond length	0.005
RMSD bond angle	0.818
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.386	1.360	1.270
High resolution limit [Å]	1.198	1.270	1.200
Number of reflections	28166	7604	4522
<I/σ(I)>	31.9	8.75	5.15
Completeness [%]	91.4	93.8	52.9
Redundancy	5.34	2.86	1.63
CC(1/2)	1.000	0.987	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1 M ammonium tartrate dibasic, pH 7.0, 12% w/v PEG3350