6X1N

Crystal Structure of Choanoflagellate (Monosiga brevicollis) Dlg1 PDZ3 (mbDLG-3)

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	C 1 2 1
Unit cell lengths	76.384, 44.749, 28.613
Unit cell angles	90.00, 97.95, 90.00

Refinement procedure

Resolution	38.515 - 1.400
R-factor	0.1581
Rwork	0.158
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qjf
RMSD bond length	0.005
RMSD bond angle	0.839
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]	38.515	1.420	1.480
High resolution limit [Å]	1.303	1.400	1.380
Rmerge	0.021		0.096
Number of reflections	23422	6191	6829
<I/σ(I)>	34.04	6.25	11.29
Completeness [%]	96.5	83.5	97.7
Redundancy	3.16	2.09	3.06
CC(1/2)	1.000	0.967	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.02 M zinc chloride, 20% w/v PEG3350