6X1P

Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ2 (mbDLG-2) in spacegroup I2

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	2020-03-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977410
Spacegroup name	I 1 2 1
Unit cell lengths	37.147, 35.259, 63.494
Unit cell angles	90.00, 102.30, 90.00

Refinement procedure

Resolution	34.716 - 1.702
R-factor	0.1849
Rwork	0.182
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2byg
RMSD bond length	0.006
RMSD bond angle	0.743
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]	34.720	1.930	1.810
High resolution limit [Å]	1.700	1.810	1.700
Number of reflections	8933	2584	2670
<I/σ(I)>	11.39	3.88	2.23
Completeness [%]	98.4	98.2	97.3
Redundancy	3.47	3.44	3.39
CC(1/2)	0.998	0.926	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M sodium malonate, pH 5, 12% w/v PEG3350